Basic information
- CAS
70206-45-0- Standard SMILES
Cc1c2c(c(CO)c3c1ccc1ccccc13)C=C[C@H](O)[C@H]2O- InChIKey
JKOCLQQMJRIWJU-FXAWDEMLSA-N- Molecular formula
- C20H18O3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.12559443
Names & identifiers
- Preferred name
- 12-Hydroxymethyl-7-methylbenz(a)anthracene-8,9-dihydrodiol, trans-
- IUPAC
- (8S,9S)-12-(hydroxymethyl)-7-methyl-8,9-dihydrobenzo[a]anthracene-8,9-diol
Names & synonyms
trans-12-Hydroxymethyl-7-methylbenz(a)anthracene-8,9-dihydrodiolWQJ40HIO62BENZ(a)ANTHRACENE-8,9-DIOL, 8,9-DIHYDRO-12-(HYDROXYMETHYL)-7-METHYL-, trans-UNII-WQJ40HIO62DTXSID30220476trans-8,9-Dihydro-12-(hydroxymethyl)-7-methylbenz(a)anthracene-8,9-diol12-Hydroxymethyl-7-methylbenz(a)anthracene-8,9-dihydrodiol, trans-RefChem:197132DTXCID3014296770206-45-0Q27292777(8S,9S)-12-(HYDROXYMETHYL)-7-METHYL-8,9-DIHYDROTETRAPHENE-8,9-DIOL
Database identifiers
- CAS
70206-45-0- PubChem CID
- 51014
- DTXSID
DTXSID30220476- UNII
- WQJ40HIO62
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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