(E)-4-(4-(acetylamino)phenyl)-3-butenoic acid
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Basic information
- Standard SMILES
CC(=O)Nc1ccc(/C=C/CC(=O)O)cc1- InChIKey
DJHYCVHSJYKACL-NSCUHMNNSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.08954328
Names & identifiers
- Preferred name
- (E)-4-(4-(acetylamino)phenyl)-3-butenoic acid
- IUPAC
- (E)-4-(4-acetamidophenyl)but-3-enoic acid
Names & synonyms
SCHEMBL8828409DJHYCVHSJYKACL-NSCUHMNNSA-N(E)-4-(4-(acetylamino)phenyl)-3-butenoic acid
Database identifiers
- PubChem CID
- 10036364
- Nikkaji
- J524.504D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 278
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Related reactions
3 records
Compound notes
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