Basic information
- CAS
97404-77-8- Standard SMILES
N#Cc1c(N)c2c(c(O)c1C#N)C(=O)c1ccccc1C2=O- InChIKey
MFVRNTLOEGHWAF-UHFFFAOYSA-N- Molecular formula
- C16H7N3O3
- Average molar mass
- 289.24 g/mol
- Monoisotopic mass
- 289.04874109
Names & identifiers
- Preferred name
- 1-Amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile
- IUPAC
- 1-amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile
- English name
- 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydro-2,3-anthracenedicarbonitrile
- Molecular formula
- C16H7N3O3
- Molecular weight
- 289.24508
Names & synonyms
1-amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2,3-dicarbonitrileSTK3966651-Amino-4-hydroxy-9,10-dioxo-9,10-dihydro-anthracene-2,3-dicarbonitrileAKOS000592434ST50299980AG-690/369510371-amino-4-hydroxy-9,10-dioxo-9,10-dihydro-2,3-anthracenedicarbonitrile97404-77-8
Database identifiers
- CAS
97404-77-8- PubChem CID
- 2840432
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 613
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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