Basic information
- CAS
121211-20-9- Standard SMILES
CN(C)Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O.Cl- InChIKey
NAOCHQNZMJXOEE-UHFFFAOYSA-N- Molecular formula
- C17H16ClNO4
- Average molar mass
- 333.8 g/mol
- Monoisotopic mass
- 333.0767857
Names & identifiers
- Preferred name
- 3-[(Dimethylamino)methyl]-1,8-dihydroxyanthracene-9,10-dione;hydrochloride
- IUPAC
- 3-[(dimethylamino)methyl]-1,8-dihydroxyanthracene-9,10-dione;hydrochloride
Names & synonyms
SK 31671121211-20-9DTXSID201531883-[(Dimethylamino)methyl]-1,8-dihydroxyanthracene-9,10-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
121211-20-9- PubChem CID
- 147672
- DTXSID
DTXSID20153188
Properties
Computed structural properties
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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