Benzoic acid, 3,5-diallyl-4-hydroxy-, ethyl ester

HCID 57766

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Basic information

CAS: 100311-34-0
Standard SMILES: C=CCc1cc(C(=O)OCC)cc(CC=C)c1O
InChIKey: JOUJVFQMMSBQQO-UHFFFAOYSA-N
Molecular formula: C15H18O3
Average molar mass: 246.3 g/mol
Monoisotopic mass: 246.12559443

Names & identifiers

Preferred name: Benzoic acid, 3,5-diallyl-4-hydroxy-, ethyl ester
IUPAC: ethyl 4-hydroxy-3,5-bis(prop-2-enyl)benzoate
English name: Ethyl 3,5-diallyl-4-hydroxybenzoate
Molecular formula: C15H18O3
Molecular weight: 246.30162

Names & synonyms

BRN 25832963,5-Diallyl-4-hydroxybenzoic acid ethyl esterBENZOIC ACID, 3,5-DIALLYL-4-HYDROXY-, ETHYL ESTER100311-34-0DTXSID50143153RefChem:327040DTXCID00656441-10-00-00143 (Beilstein Handbook Reference)ethyl 3,5-diallyl-4-hydroxybenzoateethyl 4-hydroxy-3,5-di(prop-2-en-1-yl)benzoate

Database identifiers

CAS: 100311-34-0
PubChem CID: 57766
DTXSID: DTXSID50143153
Nikkaji: J73.930H

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 278

Chemistry & industry

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西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

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