Basic information
- CAS
61294-16-4- Standard SMILES
Cc1ccc([N+](=O)[O-])cc1NC(=O)C=CC(=O)O- InChIKey
XNBQISQCUQYJKW-UHFFFAOYSA-N- Molecular formula
- C11H10N2O5
- Average molar mass
- 250.21 g/mol
- Monoisotopic mass
- 250.05897142
Names & identifiers
- Preferred name
- 4-(2-Methyl-5-nitroanilino)-4-oxobut-2-enoic acid
- IUPAC
- 4-(2-methyl-5-nitroanilino)-4-oxobut-2-enoic acid
Names & synonyms
4-(2-methyl-5-nitroanilino)-4-oxobut-2-enoic acid61294-16-42'-methyl-5'-nitromaleanilic acidSCHEMBL7822334DTXSID80349904AKOS034453099
Database identifiers
- CAS
61294-16-4- PubChem CID
- 668201
- DTXSID
DTXSID80349904
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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