Basic information
- CAS
117019-80-4- Standard SMILES
O[C@@H]1C=Cc2c(ccc3nc4ccc5ccccc5c4cc23)[C@H]1O- InChIKey
LWQQPBNWXMYMEF-NHCUHLMSSA-N- Molecular formula
- C21H15NO2
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.11027872
Names & identifiers
- Preferred name
- Dibenz(a,j)acridine-3,4-diol, 3,4-dihydro-, (3R-trans)-
- IUPAC
- (7R,8R)-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,10,13,15,17,19,21-decaene-7,8-diol
Names & synonyms
117019-80-4Dibenz(a,j)acridine-3,4-diol, 3,4-dihydro-, (3R-trans)-NIOSH/HN1855000HN18550000(R,R)-3,4-Dihydrodibenz(a,j)acridine-3,4-diolDibenz(a,j)acridine-3,4-diol, 3,4-dihydro-, (R,R)-(3r,4r)-3,4-dihydrodibenzo[a,j]acridine-3,4-diolDTXSID80151680trans-3,4-dihydroxy-3,4-dihydrodibenz[a,j]acridin
Database identifiers
- CAS
117019-80-4- PubChem CID
- 189461
- DTXSID
DTXSID80151680- Nikkaji
- J346.637J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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