Basic information
- CAS
54468-52-9- Standard SMILES
C=C(CC(=O)O)C(N)=O- InChIKey
BLRZZXLJCJKJII-UHFFFAOYSA-N- Molecular formula
- C5H7NO3
- Average molar mass
- 129.11 g/mol
- Monoisotopic mass
- 129.04259309
Names & identifiers
- Preferred name
- 3-Carbamoylbut-3-enoic acid
- IUPAC
- 3-carbamoylbut-3-enoic acid
Names & synonyms
3-Carbamoylbut-3-enoic acid54468-52-9DTXSID20600324RefChem:278007DTXCID00551082itaconic acid amideSCHEMBL370643AKOS006360887
Database identifiers
- CAS
54468-52-9- PubChem CID
- 19821444
- DTXSID
DTXSID20600324
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 162
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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