Basic information
- CAS
16673-84-0- Standard SMILES
CC(=O)CC(=O)NC(=O)Cc1ccccc1- InChIKey
WKRQPWQNBHQIJD-UHFFFAOYSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.08954328
Names & identifiers
- Preferred name
- Benzeneacetamide, N-(1,3-dioxobutyl)-
- IUPAC
- 3-oxo-N-(2-phenylacetyl)butanamide
Names & synonyms
N-(Acetoacetyl)phenylacetmaide16673-84-0Benzeneacetamide, N-(1,3-dioxobutyl)-DTXSID703418563-Oxo-N-(phenylacetyl)butanamideWKRQPWQNBHQIJD-UHFFFAOYSA-NN-Acetoacetyl-2-phenylacetamide #
Database identifiers
- CAS
16673-84-0- PubChem CID
- 576243
- DTXSID
DTXSID70341856- Nikkaji
- J1.393.090B
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…