Completing data — usually done within a minute
Basic information
- CAS
93845-04-6- Standard SMILES
CCOC(=O)CCC=Cc1ccccc1- InChIKey
MWCIALATOQPZRR-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- Ethyl 5-phenylpent-4-enoate
- IUPAC
- ethyl 5-phenylpent-4-enoate
Names & synonyms
Ethyl 5-phenylpent-4-enoateSCHEMBL9419457DTXSID30708986
Database identifiers
- CAS
93845-04-6- PubChem CID
- 54094437
- DTXSID
DTXSID30708986
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Related reactions
2 records
Compound notes
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