Basic information
- Standard SMILES
C=Cc1cc(C)ccc1C(=O)OC- InChIKey
NSSDACCSCJFOCF-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
Names & identifiers
- Preferred name
- Methyl 2-ethenyl-4-methylbenzoate
- IUPAC
- methyl 2-ethenyl-4-methylbenzoate
Names & synonyms
methyl 2-ethenyl-4-methylbenzoate131001-90-6SCHEMBL15779314SCHEMBL16951164NSSDACCSCJFOCF-UHFFFAOYSA-NH28494A1-09137
Database identifiers
- PubChem CID
- 21779699
- Nikkaji
- J340.478A
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- 198
Related reactions
4 records
Compound notes
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