Basic information
- CAS
3176-87-2- Standard SMILES
Nc1c2c(=O)oc(=O)c2c(N)c2c(=O)c3ccccc3c(=O)c12- InChIKey
JLSLIROFCPAEGA-UHFFFAOYSA-N- Molecular formula
- C16H8N2O5
- Average molar mass
- 308.24 g/mol
- Monoisotopic mass
- 308.04332136
Names & identifiers
- Preferred name
- 1,4-Diaminoanthraquinone-2,3-dicarboxylic anhydride
- IUPAC
- 4,11-diaminonaphtho[2,3-f][2]benzofuran-1,3,5,10-tetrone
Names & synonyms
3176-87-21,4-diaminoanthraquinone-2,3-dicarboxylic anhydrideSCHEMBL4704884SCHEMBL30096864JLSLIROFCPAEGA-UHFFFAOYSA-NDTXSID6012429724,11-Diaminoanthra[2,3-c]furan-1,3,5,10-tetrone1,4-diamino anthraquinone-2,3-dicarboxylic acid anhydride
Database identifiers
- CAS
3176-87-2- PubChem CID
- 10870548
- DTXSID
DTXSID601242972- Nikkaji
- J24.254C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 566
Related reactions
3 records
Compound notes
Loading…