Basic information
- CAS
1139947-37-7- Standard SMILES
CC=C(C)C(=O)OCCc1ccccc1- InChIKey
KVMWYGAYARXPOL-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- 2-Phenylethyl 2-methylbut-2-enoate
- IUPAC
- 2-phenylethyl 2-methylbut-2-enoate
Names & synonyms
2-phenylethyl 2-methylbut-2-enoate1139947-37-7SCHEMBL872900DTXSID3047685
Database identifiers
- CAS
1139947-37-7- PubChem CID
- 41552
- DTXSID
DTXSID3047685
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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