Basic information
- CAS
352330-52-0- Standard SMILES
CCC(=O)Nc1ccccc1C(=O)C(=O)O- InChIKey
XDZDGUFFZKSXRH-UHFFFAOYSA-N- Molecular formula
- C11H11NO4
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.06880783
Names & identifiers
- Preferred name
- alpha-Oxo-2-[(1-oxopropyl)amino]benzeneacetic acid
- IUPAC
- 2-oxo-2-[2-(propanoylamino)phenyl]acetic acid
- English name
- oxo[2-(propionylamino)phenyl]acetic acid
- Molecular formula
- C11H11NO4
- Molecular weight
- 221.21
Names & synonyms
352330-52-0alpha-Oxo-2-((1-oxopropyl)amino)benzeneacetic acidalpha-Oxo-2-[(1-oxopropyl)amino]benzeneacetic acidRefChem:318483Oxo[2-(propionylamino)phenyl]acetic acid2-Oxo-2-(2-propionamidophenyl)acetic acid2-oxo-2-[2-(propanoylamino)phenyl]acetic acid2-oxo-2-(2-propanamidophenyl)acetic acidOXO(2-PROPANAMIDOPHENYL)ACETIC ACIDMFCD02376096benzeneacetic acid, alpha-oxo-2-[(1-oxopropyl)amino]-Cambridge id 6526950
Show more names
A2401/0101691AG-205/151551162-keto-2-(2-propionamidophenyl)acetic acid2-oxo-2-[2-(1-oxopropylamino)phenyl]acetic acid2-oxo-2-[2-(propanoylamino)phenyl]ethanoic acidBenzeneacetic acid, α-oxo-2-[(1-oxopropyl)amino]-Acetic acid, 2-oxo-2-[2-(1-oxopropylamino)phenyl]-
CHEMBL1213049DTXSID40341969XDZDGUFFZKSXRH-UHFFFAOYSA-NALBB-029915SBB096111STK728196AKOS001738753oxo[2-(propanoylamino)phenyl]acetic acid
Database identifiers
- CAS
352330-52-0- PubChem CID
- 577451
- DTXSID
DTXSID40341969- ChEMBL
CHEMBL1213049
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Boiling point
- 452.1 · 452.1±37.0 °C(Predicted)
- Density
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- pka
- 2.02 · 2.02±0.54(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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