2H-Furo[2,3-h]chromen-2-one
O=C\2Oc3c1ccoc1ccc3/C=C/2 CopyCopied
InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H CopyCopied
XDROKJSWHURZGO-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
2H-Furo[2,3-h][1]benzopyran-2-one
2H-Furo[2,3-h]-1-benzopyran-2-one
2H-Furo[2,3-h]chromen-2-one [ACD/IUPAC Name]
4-Hydroxy-5-benzofuranacrylic acid γ-lactone
523-50-2 [RN]
T B566 EO LVOJ [WLN]
153970 [Beilstein]
201-480-6 [EINECS]
2H-Furo(2,3-h)(1)benzopyran-2-one
2H-Furo(2,3-H)-1-benzopyran-2-one
2H-Furo[2, 3-h]-1-benzopyran-2-one
2-Oxo-(2H)-furo(2,3-h)-1-benzopyran
2-Propenoic acid, 3-(4-hydroxy-5-benzofuranyl)-, δ-lactone
3-(4-Hydroxy-5-benzofuranyl)-2-propenoic acid γ-lactone
39310-13-9 [RN]
4412-93-5 [RN]
5-19-03-00307 (Beilstein Handbook Reference) [Beilstein]
5-19-04-00447 (Beilstein Handbook Reference) [Beilstein]
83382-66-5 [RN]
83-46-5 [RN]
Angecin
angelicin
Angelicin (coumarin deriv)
Angelicin (coumarin derivative)
Angelicin (VAN)
Angelicin plus ultraviolet A radiation [Angelicins]
apiole [Wiki]
Bakuchicin
Bakuchicin (Angelicine)
C011659
furano[2,3-h]chromen-8-one
Furo(2,3-h)coumarin
Furo(5',4':7,8)coumarin
Furo[2,3-h]chromen-2-one
Furo[5',4':7,8]coumarin
Isopsoralen
Parsley apiol
Petersiliencampher
Sopsoralen;
Sopsoralen;Furo[5',4':7,8]coumarin; Bakuchicin
A0956_SIGMA [DBID]
AI3-14843 [DBID]
BRN 0153970 [DBID]
BRN 0195747 [DBID]
C09060 [DBID]
C10429 [DBID]
CCRIS 4276 [DBID]
CHEBI:28928 [DBID]
HSDB 3554 [DBID]
KBio2_000880 [DBID]
KBio2_003448 [DBID]
KBio2_006016 [DBID]
KBio3_002105 [DBID]
KBioGR_002105 [DBID]
KBioSS_000880 [DBID]
NSC 404563 [DBID]
NSC 9070 [DBID]
NSC404563 [DBID]
NSC9070 [DBID]
SPBio_000378 [DBID]
Spectrum_000400 [DBID]
Spectrum2_000419 [DBID]
Spectrum3_001283 [DBID]
Spectrum4_001643 [DBID]
ZINC00073700 [DBID]
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.31 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 331.22 (Adapted Stein & Brown method) Melting Pt (deg C): 94.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.86E-005 (Modified Grain method) Subcooled liquid VP: 0.000366 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3877 log Kow used: 1.31 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 332.96 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.53E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.966E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.31 (KowWin est) Log Kaw used: -3.841 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.151 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8331 Biowin2 (Non-Linear Model) : 0.9884 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9280 (weeks ) Biowin4 (Primary Survey Model) : 3.8081 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5432 Biowin6 (MITI Non-Linear Model): 0.4879 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5230 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0488 Pa (0.000366 mm Hg) Log Koa (Koawin est ): 5.151 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.15E-005 Octanol/air (Koa) model: 3.48E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00222 Mackay model : 0.00489 Octanol/air (Koa) model: 2.78E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 149.4852 E-12 cm3/molecule-sec Half-Life = 0.072 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.859 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 11.820000 E-17 cm3/molecule-sec Half-Life = 0.097 Days (at 7E11 mol/cm3) Half-Life = 2.327 Hrs Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.00355 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 544.8 Log Koc: 2.736 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.312 (BCF = 2.05) log Kow used: 1.31 (estimated) Volatilization from Water: Henry LC: 3.53E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 227.7 hours (9.487 days) Half-Life from Model Lake : 2598 hours (108.3 days) Removal In Wastewater Treatment: Total removal: 2.12 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.83 percent Total to Air: 0.20 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.143 0.988 1000 Water 41.2 360 1000 Soil 58.5 720 1000 Sediment 0.09 3.24e+003 0 Persistence Time: 359 hr
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