Basic information
- CAS
20253-58-1- Standard SMILES
O=C1c2ccccc2C(=O)c2c(O)c(NCCO)cc(O)c21- InChIKey
ALSXGHCUQWPHGN-UHFFFAOYSA-N- Molecular formula
- C16H13NO5
- Average molar mass
- 299.28 g/mol
- Monoisotopic mass
- 299.07937252
Names & identifiers
- Preferred name
- 1,4-Dihydroxy-2-[(2-hydroxyethyl)amino]anthracene-9,10-dione
- IUPAC
- 1,4-dihydroxy-2-(2-hydroxyethylamino)anthracene-9,10-dione
Names & synonyms
20253-58-1NSC354280DTXSID103200441,4-Dihydroxy-2-[(2-hydroxyethyl)amino]anthracene-9,10-dioneNSC-354280
Database identifiers
- CAS
20253-58-1- PubChem CID
- 337183
- DTXSID
DTXSID10320044- Nikkaji
- J529.050C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…