Basic information
- CAS
5262-88-4- Standard SMILES
O=C(O)CCC(=O)NNc1ccccc1[N+](=O)[O-]- InChIKey
SHPVJNLKZALSLT-UHFFFAOYSA-N- Molecular formula
- C10H11N3O5
- Average molar mass
- 253.21 g/mol
- Monoisotopic mass
- 253.06987046
Names & identifiers
- Preferred name
- 4-[2-(2-Nitrophenyl)hydrazinyl]-4-oxobutanoic acid
- IUPAC
- 4-[2-(2-nitrophenyl)hydrazinyl]-4-oxobutanoic acid
Names & synonyms
4-[2-(2-nitrophenyl)hydrazinyl]-4-oxobutanoic acid5262-88-414674-16-94-(2-{2-nitrophenyl}hydrazino)-4-oxobutanoic acid4-(2-(2-Nitrophenyl)hydrazinyl)-4-oxobutanoic acidCBMicro_048033MLS000705097CHEMBL1732607DTXSID90395679HMS2563A08STK060328AKOS000484862
Show more names
SMR000231403BIM-0048187.P001CS-0337188ST45031500AN-329/10731002SR-01000201908SR-01000201908-13-{N-[(2-nitrophenyl)amino]carbamoyl}propanoic acid
Database identifiers
- CAS
5262-88-4- PubChem CID
- 3733201
- DTXSID
DTXSID90395679- ChEMBL
CHEMBL1732607
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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