ChemSpider 2D Image | 2-amino-5,6,7,8-tetrahydro-7,7-dimethyl-5,1',3'-trioxospiro(4H-chromen-4,2'-indan)-3-carbonitrile | C20H16N2O4

2-amino-5,6,7,8-tetrahydro-7,7-dimethyl-5,1',3'-trioxospiro(4H-chromen-4,2'-indan)-3-carbonitrile

  • Molecular FormulaC20H16N2O4
  • Average mass348.352 Da
  • Monoisotopic mass348.110992 Da
  • ChemSpider ID2019393

More details:

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

2-amino-5,6,7,8-tetrahydro-7,7-dimethyl-5,1',3'-trioxospiro(4H-chromen-4,2'-indan)-3-carbonitrile
2-Amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitril [German] [ACD/IUPAC Name]
2-Amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile [ACD/IUPAC Name]
2-Amino-7,7-diméthyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile [French] [ACD/IUPAC Name]
Spiro[4H-1-benzopyran-4,2'-[2H]indene]-3-carbonitrile, 2-amino-1',3',5,6,7,8-hexahydro-7,7-dimethyl-1',3',5-trioxo- [ACD/Index Name]
119771-42-5 [RN]
11-amino-16,16-dimethyl-1,3,14-trioxospiro[2-hydrocyclopenta[1,2-a]benzene-2,4'-4H-6',7',8'-trihydrochromene]-12-carbonitrile
2-Amino-7,7-dimethyl-5,11,13-trioxospiro(4,6,7,8-tetrahydro-2H-chromene-4,2'-indane)-3-carbonitrile
2-amino-7,7-dimethyl-5,11,13-trioxospiro[4,6,7,8-tetrahydro2H-chromene-4,2'-indane]-3-carbonitrile
MFCD00112577 [MDL number]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ZINC00103825 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 661.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.9±31.5 °C
Index of Refraction: 1.661
Molar Refractivity: 90.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 274.05
ACD/KOC (pH 5.5): 1934.64
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 274.07
ACD/KOC (pH 7.4): 1934.78
Polar Surface Area: 110 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 243.5±5.0 cm3

Click to predict properties on the Chemicalize site


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