Basic information
- CAS
104007-44-5- Standard SMILES
O=C(O)c1ccc2ncc(-c3ccccc3)nc2c1- InChIKey
XKRNBOKUBHFPAA-UHFFFAOYSA-N- Molecular formula
- C15H10N2O2
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.07422757
Names & identifiers
- Preferred name
- 3-Phenylquinoxaline-6-carboxylic acid
- IUPAC
- 3-phenylquinoxaline-6-carboxylic acid
Names & synonyms
3-phenylquinoxaline-6-carboxylic acid104007-44-56-Quinoxalinecarboxylic acid, 3-phenyl-NSC383233CHEMBL69931SCHEMBL397896DTXSID90321897NSC-383233
Database identifiers
- CAS
104007-44-5- PubChem CID
- 343552
- DTXSID
DTXSID90321897- ChEMBL
CHEMBL69931- Nikkaji
- J747.561F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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