2-Oxo-N-phenylpropanamide
Basic information
- CAS
46114-86-7- Standard SMILES
CC(=O)C(=O)Nc1ccccc1- InChIKey
VOKLUGVCKPXDJE-UHFFFAOYSA-N- Molecular formula
- C9H9NO2
- Average molar mass
- 163.17 g/mol
- Monoisotopic mass
- 163.06332853
Names & identifiers
- Preferred name
- 2-Oxo-N-phenylpropanamide
- IUPAC
- 2-oxo-N-phenylpropanamide
- English name
- 2-oxo-N-phenylpropanamide
- Molecular formula
- C9H9NO2
- Molecular weight
- 163.17
Names & synonyms
2-Oxo-N-phenylpropanamide46114-86-7NSC249772BrenztraubensaureanilidGlyoxylamide, N-phenyl-2-Oxo-N-phenylpropanamide #SCHEMBL3415038DTXSID70312086VOKLUGVCKPXDJE-UHFFFAOYSA-NNSC812707AKOS004903272NSC-812707
Show more names
Propanamide, 2-oxo-N-phenyl-
DB-3440063H-044
Database identifiers
- CAS
46114-86-7- PubChem CID
- 317513
- DTXSID
DTXSID70312086- Nikkaji
- J489.117A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 180 · 180-182 °C
- Density
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- pka
- 11.29 · 11.29±0.70(Predicted)
- FDA UNII
- 732 PL5JC3 · H732PL5JC3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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