Basic information
- CAS
5470-98-4- Standard SMILES
N#Cc1c(O)c2c(c(O)c1C#N)C(=O)c1ccccc1C2=O- InChIKey
XZPHNGYVABZCEK-UHFFFAOYSA-N- Molecular formula
- C16H6N2O4
- Average molar mass
- 290.23 g/mol
- Monoisotopic mass
- 290.03275668
Names & identifiers
- Preferred name
- 1,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2,3-dicarbonitrile
- IUPAC
- 1,4-dihydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile
Names & synonyms
5470-98-4NSC 270349,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2,3-anthracenedicarbonitrileDicyanochinizarinNSC270342,3-QuinizarindicarbonitrileSCHEMBL9618328DTXSID10328429NSC-270341,4-DIHYDROXY-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2,3-DICARBONITRILEAF-399/129260481,4-dihydroxy-9,10-dioxo-9,10-dihydro-2,3-anthracenedicarbonitrile
Database identifiers
- CAS
5470-98-4- PubChem CID
- 410191
- DTXSID
DTXSID10328429
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 558
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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