2-Phenylpropyl 2-butenoate
Basic information
- CAS
93857-94-4- Standard SMILES
C/C=C/C(=O)OCC(C)c1ccccc1- InChIKey
LQWSYJWVIVLBFG-XVNBXDOJSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- 2-Phenylpropyl 2-butenoate
- IUPAC
- 2-phenylpropyl (E)-but-2-enoate
Names & synonyms
2-Phenylpropyl 2-butenoateEINECS 299-228-393857-94-4LQWSYJWVIVLBFG-XVNBXDOJSA-N
Database identifiers
- CAS
93857-94-4- PubChem CID
- 6366268
- EC Number
- 299-228-3
- Nikkaji
- J155.185J
Properties
Computed structural properties
- XLogP
- 3.2
- 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
- 215
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Compound notes
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