Basic information
- Standard SMILES
C=C(C)c1ccc(C(=O)OC)cc1- InChIKey
OVVNOSFHLSEYEP-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- Benzoic acid, 4-(1-methylethenyl)-, methyl ester
- IUPAC
- methyl 4-prop-1-en-2-ylbenzoate
Names & synonyms
26581-23-7Benzoic acid, 4-(1-methylethenyl)-, methyl estermethyl 4-isopropenylbenzoateSCHEMBL82710634-Isopropenyl-benzoic acid methyl esterBenzoicacid,4-(1-methylethenyl)-,methylester
Database identifiers
- PubChem CID
- 11275336
- Nikkaji
- J167.579F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Related reactions
3 records
Compound notes
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