ChemSpider 2D Image | DEOXYPATULINIC ACID | C7H8O4

DEOXYPATULINIC ACID

  • Molecular FormulaC7H8O4
  • Average mass156.136 Da
  • Monoisotopic mass156.042252 Da
  • ChemSpider ID32740642

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4-Oxo-3,4-dihydro-2H-pyran-5-yl)acetic acid [ACD/IUPAC Name]
(4-Oxo-3,4-dihydro-2H-pyran-5-yl)essigsäure [German] [ACD/IUPAC Name]
2H-Pyran-5-acetic acid, 3,4-dihydro-4-oxo- [ACD/Index Name]
39115-30-5 [RN]
Acide (4-oxo-3,4-dihydro-2H-pyran-5-yl)acétique [French] [ACD/IUPAC Name]
DEOXYPATULINIC ACID
3,4-dihydro-4-oxo-2h-pyran-5-acetic acid
Desoxypatulinic acid
MFCD18969073

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

L62PI92L73 [DBID]
UNII:L62PI92L73 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 321.6±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 61.9±6.0 kJ/mol
Flash Point: 137.9±15.6 °C
Index of Refraction: 1.513
Molar Refractivity: 35.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -1.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 14.0±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 117.5±3.0 cm3

Click to predict properties on the Chemicalize site


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