Basic information
- CAS
52738-29-1- Standard SMILES
O=Nc1ccc2c(O)c3ccccc3c(O)c2c1- InChIKey
HFPOCEBXYAIBEN-UHFFFAOYSA-N- Molecular formula
- C14H9NO3
- Average molar mass
- 239.23 g/mol
- Monoisotopic mass
- 239.05824315
Names & identifiers
- Preferred name
- Aminohydroxy-9,10-anthracenedione
- IUPAC
- 2-nitrosoanthracene-9,10-diol
Names & synonyms
AMINOHYDROXY-9,10-ANTHRACENEDIONE52738-29-12-(hydroxyamino)anthracene-9,10-dione2-Hydroxylamino-anthrachinonDTXSID20200722
Database identifiers
- CAS
52738-29-1- PubChem CID
- 40513
- DTXSID
DTXSID20200722- Nikkaji
- J33.294A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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