Benz(a)anthracene-1,2-diol, 1,2-dihydro-8-methyl-, trans-
Basic information
- CAS
84189-35-5- Standard SMILES
Cc1cccc2cc3c4c(ccc3cc12)C=C[C@H](O)[C@H]4O- InChIKey
SVWMTONRXYHEIV-PKOBYXMFSA-N- Molecular formula
- C19H16O2
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.11502975
Names & identifiers
- Preferred name
- Benz(a)anthracene-1,2-diol, 1,2-dihydro-8-methyl-, trans-
- IUPAC
- (1S,2S)-8-methyl-1,2-dihydrobenzo[a]anthracene-1,2-diol
Names & synonyms
Benz(a)anthracene-1,2-diol, 1,2-dihydro-8-methyl-, trans-trans-8-Methyl-1,2-dihydrobenz(a)anthracene-1,2-diol84189-35-594849-69-1(1s,2s)-8-methyl-1,2-dihydrotetraphene-1,2-diolDTXSID509152768-Methyl-1,2-dihydrotetraphene-1,2-diol
Database identifiers
- CAS
84189-35-5、94849-69-1- PubChem CID
- 190185
- DTXSID
DTXSID50915276
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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