Basic information
- CAS
917344-30-0- Standard SMILES
N#Cc1ccc2ncc(=O)[nH]c2c1- InChIKey
FYNULFVNOICGRQ-UHFFFAOYSA-N- Molecular formula
- C9H5N3O
- Average molar mass
- 171.16 g/mol
Names & identifiers
- Preferred name
- 3-Hydroxyquinoxaline-6-carbonitrile
- IUPAC
- 3-oxo-4H-quinoxaline-6-carbonitrile
- English name
- 6-Quinoxalinecarbonitrile, 3,4-dihydro-3-oxo-
- Molecular formula
- C9H5N3O
- Molecular weight
- 171.16
Names & synonyms
3-Hydroxyquinoxaline-6-carbonitrile917344-30-03-oxo-3,4-dihydroquinoxaline-6-carbonitrile3-oxo-4H-quinoxaline-6-carbonitrile3-oxo-3,4-dihydro-quinoxaline-6-carbonitrileSCHEMBL621778SCHEMBL13668594FYNULFVNOICGRQ-UHFFFAOYSA-NMFCD30066909SY515894DB-2944646-Quinoxalinecarbonitrile, 3,4-dihydro-3-oxo-
Database identifiers
- CAS
917344-30-0
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 8.05 · 8.05±0.70(Predicted)
Chemistry & industry
Suppliers1 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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