ChemSpider 2D Image | trans-Isosafrole | C10H10O2


  • Molecular FormulaC10H10O2
  • Average mass162.185 Da
  • Monoisotopic mass162.068085 Da
  • ChemSpider ID21106329
  • Double-bond stereo - Double-bond stereo

More details:

Featured data source

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

1,3-Benzodioxole, 5-(1-propenyl)-
1,3-Benzodioxole, 5-(1-propenyl)-, (E)-
1,3-Benzodioxole, 5-[(1E)-1-propen-1-yl]- [ACD/Index Name]
5-[(1E)-1-Propen-1-yl]-1,3-benzodioxol [German] [ACD/IUPAC Name]
5-[(1E)-1-Propen-1-yl]-1,3-benzodioxole [ACD/IUPAC Name]
5-[(1E)-1-Propén-1-yl]-1,3-benzodioxole [French] [ACD/IUPAC Name]

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

AI3-02068 [DBID]
BRN 0082640 [DBID]
C10472 [DBID]
ChemDiv2_001446 [DBID]
DivK1c_006402 [DBID]
EU-0050464 [DBID]
HSDB 2862 [DBID]
KBio1_001346 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 249.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.7±3.0 kJ/mol
Flash Point: 110.1±13.6 °C
Index of Refraction: 1.598
Molar Refractivity: 48.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 75.34
ACD/KOC (pH 5.5): 767.72
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 75.34
ACD/KOC (pH 7.4): 767.72
Polar Surface Area: 18 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 141.6±3.0 cm3

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