(E)-Cinnamate
Basic information
- CAS
4151-45-5- Standard SMILES
O=C([O-])/C=C/c1ccccc1- InChIKey
WBYWAXJHAXSJNI-VOTSOKGWSA-M- Molecular formula
- C9H7O2-
- Average molar mass
- 147.15 g/mol
- Monoisotopic mass
- 147.04460446
Overview
Cinnamate is a member of the class of cinnamates that results from the deprotonation of the carboxy group of cinnamic acid. It is a phenylpropanoid and a member of cinnamates. It is a conjugate base of a cinnamic acid.
Names & identifiers
- Preferred name
- (E)-Cinnamate
- IUPAC
- (E)-3-phenylprop-2-enoate
Names & synonyms
trans-Cinnamate(2E)-3-phenylprop-2-enoateCHEBI:15669RefChem:1050928(E)-CinnamatecinnamateCinnamic acid, ion(1-)2-Propenoic acid, 3-phenyl-, ion(1-)4151-45-5(E)-3-phenylprop-2-enoate3-phenylacrylate3-phenyl-2-propenoate
Show more names
3-phenylprop-2-enoate(E)-cinnamate (incorrect)trans-cinnamate (incorrect)trans-cinnamic acid (incorrect)CHEBI:23248WBYWAXJHAXSJNI-VOTSOKGWSA-M3-phenyl-2-propenoic acid, ion(1-)AKOS022140092
Database identifiers
- CAS
4151-45-5- PubChem CID
- 5957728
- ChEBI
CHEBI:23248- Nikkaji
- J1.701.529J、J3.580.907D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- -1
- Complexity
- 149
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
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Related reactions
1 records
Compound notes
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