Basic information
- CAS
105467-75-2- Standard SMILES
O[C@H]1C=Cc2ccc3nc4ccc5ccccc5c4cc3c2[C@@H]1O- InChIKey
RRNUOFSFFDAAFY-PZJWPPBQSA-N- Molecular formula
- C21H15NO2
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.11027872
Names & identifiers
- Preferred name
- (+-)-trans-1,2-Dihydroxy-1,2-dihydrodibenz(a,j)acridine
- IUPAC
- (5S,6S)-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),7,10,13,15,17,19,21-decaene-5,6-diol
- English name
- (+-)-trans-1,2-Dihydroxy-1,2-dihydrodibenz(a,j)acridine
- Molecular weight
- 0
Names & synonyms
105467-75-2(+-)-trans-1,2-Dihydroxy-1,2-dihydrodibenz(a,j)acridineTrans-1,2-dihydrodibenzo[a,j]acridine-1,2-diol122088-20-4CCRIS 3287BRN 5100011Dibenz(a,j)acridine-1,2-diol, 1,2-dihydro-, trans-(+-)-1,2-dihydrodibenzo[a,j]acridine-1,2-dioltrans-Dibenz(a,j)acridine-1,2-dihydrodioltrans-1,2-Dihydro-dibenz(a,j)acridine 1,2-diol(1S,2S)-1,2-dihydrodibenzo[a,j]acridine-1,2-diolDTXSID90909553
Show more names
trans-(+-)-1,2-Dihydroxy-1,2-dihydrodibenz(a,j)acridine(5S,6S)-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),7,10,13,15,17,19,21-decaene-5,6-diolTRANS-(+/-)-1,2-DIHYDROXY-1,2-DIHYDRODIBENZ[A,J] ACRIDINE
Database identifiers
- CAS
105467-75-2、122088-20-4- PubChem CID
- 147689
- DTXSID
DTXSID90909553
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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