Crotonate
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Basic information
- Standard SMILES
C/C=C/C(=O)[O-]- InChIKey
LDHQCZJRKDOVOX-NSCUHMNNSA-M- Molecular formula
- C4H5O2-
- Average molar mass
- 85.08 g/mol
- Monoisotopic mass
- 85.0289544
Names & identifiers
- Preferred name
- Crotonate
- IUPAC
- (E)-but-2-enoate
Names & synonyms
crotonate(E)-2-butenoate2-Butenoatealpha-butenoatetrans-2-butenoateb-methylacrylic acid(2E)-2-butenoate(2E)-but-2-enoatealpha-crotonatetrans-crotonatebeta-methacrylate3-methylacrylate
Show more names
(E)-crotonatebeta-methylacrylatetrans-but-2-enoateCHEBI:35899LDHQCZJRKDOVOX-NSCUHMNNSA-MQ27116612
Database identifiers
- PubChem CID
- 6971246
- ChEBI
CHEBI:35899- Nikkaji
- J220.788E、J610.031G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- -1
- Complexity
- 68
Related reactions
2 records
Compound notes
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