2-Butenoic acid, 4-(dimethylamino)-4-oxo-, (2Z)-
Basic information
- CAS
74054-79-8- Standard SMILES
CN(C)C(=O)C=CC(=O)O- InChIKey
UWVCKXVPDINNHW-UHFFFAOYSA-N- Molecular formula
- C6H9NO3
- Average molar mass
- 143.14 g/mol
- Monoisotopic mass
- 143.05824315
Names & identifiers
- Preferred name
- 2-Butenoic acid, 4-(dimethylamino)-4-oxo-, (2Z)-
- IUPAC
- 4-(dimethylamino)-4-oxobut-2-enoic acid
Names & synonyms
4-(dimethylamino)-4-oxobut-2-enoic acid2-Butenoic acid, 4-(dimethylamino)-4-oxo-, (2Z)-3-(dimethylcarbamoyl)prop-2-enoic Acid2564-94-574054-79-8SCHEMBL4162860DTXSID608741634-(Dimethylamino)-4-oxo-2-butenoic acid(2Z)-3-Dimethylcarbamoyl)prop-2-enoic acid(E)-4-(dimethylamino)-4-oxo-but-2-enoic acid
Database identifiers
- CAS
74054-79-8- PubChem CID
- 418289
- DTXSID
DTXSID30329195
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 172
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Compound notes
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