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Inherent Properties, Identifiers and References
ChemSpider ID: 4960
Empirical Formula: C10H10O2
Molecular Weight: 162.1852
Nominal Mass: 162 Da
Average Mass: 162.1852 Da
Monoisotopic Mass: 162.06808 Da
Quick Links: Permalink Similar Isomers
Systematic Name:
SMILES: C=CCc1ccc2OCOc2c1
InChI:
InChIKey: -
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Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

1,2-methy​lenedioxy​-4-allyl-​Benzene

1,2-Methy​lenedioxy​-4-Allylb​enzene

1,3-Benzo​dioxole, ​5- (2-pro​penyl)-

1,3-Benzo​dioxole, ​5-(2-prop​enyl)-

1,3-Benzo​dioxole, ​5-allyl-

1-Allyl-3​,4-(methy​lenedioxy​)benzene

1-allyl-3​,4-methyl​enedioxyb​enzene

202-345-4 [EINECS/ELINCS]

3,4-(Meth​ylenediox​y)allylbe​nzene

4-Allyl-1​,2-methyl​enedioxyb​enzene

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Database ID(s)

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(Details...) Predicted Properties
LogP: ACD/LogP: 3.10
ALOGPS: 2.23
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 3.1 ACD/LogD (pH 7.4): 3.1
ACD/BCF (pH 5.5): 133.13 ACD/BCF (pH 7.4): 133.13
ACD/KOC (pH 5.5): 1153.87 ACD/KOC (pH 7.4): 1153.87
#H bond acceptors: 2 #H bond donors: 0
#Freely Rotating Bonds: 2 Polar Surface Area: 18.46 Å2
Index of Refraction: 1.551 Molar Refractivity: 46.32 cm3
Molar Volume: 145 cm3 Polarizability: 18.36 10-24cm3
Surface Tension: 41.4 dyne/cm Density: 1.118 g/cm3
Flash Point: 97.8 °C Enthalpy of Vaporization: 45.07 kJ/mol
Boiling Point: 233.1 °C at 760 mmHg Vapour Pressure: 0.0867 mmHg at 25°C