ChemSpider 2D Image | 2-Amino-3-cyano-4-[4-(hexyloxy)-3-methoxyphenyl]-4H-chromen-7-yl (4-nitrophenoxy)acetate | C31H31N3O8

2-Amino-3-cyano-4-[4-(hexyloxy)-3-methoxyphenyl]-4H-chromen-7-yl (4-nitrophenoxy)acetate

  • Molecular FormulaC31H31N3O8
  • Average mass573.593 Da
  • Monoisotopic mass573.211121 Da
  • ChemSpider ID12013031

More details:

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

(4-Nitrophénoxy)acétate de 2-amino-3-cyano-4-[4-(hexyloxy)-3-méthoxyphényl]-4H-chromén-7-yle [French] [ACD/IUPAC Name]
2-Amino-3-cyan-4-[4-(hexyloxy)-3-methoxyphenyl]-4H-chromen-7-yl-(4-nitrophenoxy)acetat [German] [ACD/IUPAC Name]
2-Amino-3-cyano-4-[4-(hexyloxy)-3-methoxyphenyl]-4H-chromen-7-yl (4-nitrophenoxy)acetate [ACD/IUPAC Name]
Acetic acid, 2-(4-nitrophenoxy)-, 2-amino-3-cyano-4-[4-(hexyloxy)-3-methoxyphenyl]-4H-1-benzopyran-7-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 761.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 414.6±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 152.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 6.24
ACD/BCF (pH 5.5): 32373.17
ACD/KOC (pH 5.5): 58861.41
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 32410.55
ACD/KOC (pH 7.4): 58929.38
Polar Surface Area: 159 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 428.4±5.0 cm3

Click to predict properties on the Chemicalize site


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