3-acetamidobut-2-enoic Acid
Basic information
- CAS
497262-04-1- Standard SMILES
CC(=O)NC(C)=CC(=O)O- InChIKey
PLLYFWYZRUTJTK-UHFFFAOYSA-N- Molecular formula
- C6H9NO3
- Average molar mass
- 143.14 g/mol
- Monoisotopic mass
- 143.05824315
Names & identifiers
- Preferred name
- 3-acetamidobut-2-enoic Acid
- IUPAC
- 3-acetamidobut-2-enoic acid
Names & synonyms
3-acetamidobut-2-enoic Acid610279-85-1SCHEMBL3506422DTXSID10394008
Database identifiers
- CAS
497262-04-1- PubChem CID
- 3597007
- DTXSID
DTXSID10394008
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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