3-(3-Nitrophenylaminocarbonyl)propionic acid
Basic information
- CAS
1797-93-9- Standard SMILES
O=C(O)CCC(=O)Nc1cccc([N+](=O)[O-])c1- InChIKey
IUDLIFNJGGQWBX-UHFFFAOYSA-N- Molecular formula
- C10H10N2O5
- Average molar mass
- 238.2 g/mol
- Monoisotopic mass
- 238.05897142
Overview
See also: 3'-Nitrosuccinanilic acid (annotation moved to).
Names & identifiers
- Preferred name
- 3-(3-Nitrophenylaminocarbonyl)propionic acid
- IUPAC
- 4-(3-nitroanilino)-4-oxobutanoic acid
- English name
- AKOS BBS-00001823
- Molecular formula
- C10H10N2O5
- Molecular weight
- 238.2
Names & synonyms
1797-93-93-(3-nitrophenylaminocarbonyl)propionic acid4-(3-nitroanilino)-4-oxobutanoic acid3-[(3-nitrophenyl)carbamoyl]propanoic acid4-((3-Nitrophenyl)amino)-4-oxobutanoic acid4-(3-Nitroanilino)-4-oxo-butanoic acid3-[N-(3-nitrophenyl)carbamoyl]propanoic acid4-[(3-nitrophenyl)amino]-4-oxobutanoic acidCBDivE_007722CBKinase1_000405CBKinase1_012805Cambridge id 5133963
Show more names
ASISCHEM C153823'-NITROSUCCINANILIC ACID3'-NITROSUCCINANILIC ACIDButanoic acid, 4-[(3-nitrophenyl)amino]-4-oxo-
Oprea1_637938Oprea1_652546CHEMBL119542SCHEMBL13401351SCHEMBL19334353DTXSID80354159AKOS BBS-00001823BBL035633
Database identifiers
- CAS
1797-93-9- PubChem CID
- 765171
- DTXSID
DTXSID80354159
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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