Basic information
- CAS
3056-97-1- Standard SMILES
Cc1cc2c(cc1C)C(=O)c1c(N)cccc1C2=O- InChIKey
OEKGYCGWQZJFDP-UHFFFAOYSA-N- Molecular formula
- C16H13NO2
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.09462866
Names & identifiers
- Preferred name
- 1-Amino-6,7-dimethylanthracene-9,10-dione
- IUPAC
- 1-amino-6,7-dimethylanthracene-9,10-dione
Names & synonyms
1-Amino-6,7-dimethylanthracene-9,10-dione3056-97-15-amino-2,3-dimethylanthraquinoneSCHEMBL9817620DTXSID20612068OEKGYCGWQZJFDP-UHFFFAOYSA-N1-amino-6,7-dimethylanthraquinone2,3-dimethyl-5-aminoanthraquinone
Database identifiers
- CAS
3056-97-1- PubChem CID
- 21292553
- DTXSID
DTXSID20612068
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 406
Related reactions
6 records
Compound notes
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