Basic information
- CAS
60657-74-1- Standard SMILES
CN(C(=O)CC(=O)O)c1ccccc1- InChIKey
ONIBPEAZDCFYJT-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Names & identifiers
- Preferred name
- 3-(Methyl(phenyl)amino)-3-oxopropanoic acid
- IUPAC
- 3-(N-methylanilino)-3-oxopropanoic acid
Names & synonyms
60657-74-13-(Methyl(phenyl)amino)-3-oxopropanoic acidPropanoicacid, 3-(methylphenylamino)-3-oxo-3-[Methyl(phenyl)amino]-3-oxopropanoic acidNSC506247SCHEMBL307215DTXSID30325415ONIBPEAZDCFYJT-UHFFFAOYSA-NAKOS011513279NSC-506247DA-24871
Database identifiers
- CAS
60657-74-1- PubChem CID
- 350056
- DTXSID
DTXSID30325415
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
Related reactions
10 records
Compound notes
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