Basic information
- CAS
25652-35-1- Standard SMILES
O=C(O)c1nc2cc([N+](=O)[O-])ccc2[nH]c1=O- InChIKey
OWAUKGQRJRKCTQ-UHFFFAOYSA-N- Molecular formula
- C9H5N3O5
- Average molar mass
- 235.15 g/mol
- Monoisotopic mass
- 235.02292027
Names & identifiers
- Preferred name
- 7-Nitro-3-oxo-3,4-dihydroquinoxaline-2-carboxylic acid
- IUPAC
- 7-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid
Names & synonyms
25652-35-1NSC 810177-nitro-3-oxo-3,4-dihydroquinoxaline-2-carboxylic acidNSC810177-nitro-3-oxo-3,4-dihydro-quinoxaline-2-carboxylic acidSCHEMBL9704143SCHEMBL13405556DTXSID50292231NSC-81017DB-318339
Database identifiers
- CAS
25652-35-1- PubChem CID
- 255451
- DTXSID
DTXSID50292231
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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