Basic information
- CAS
160543-14-6- Standard SMILES
Cc1c2cc(CO)ccc2nc2c3c(ccc12)[C@H](O)[C@@H](O)C=C3- InChIKey
YZAPRAHRHDCFCW-HKUYNNGSSA-N- Molecular formula
- C19H17NO3
- Average molar mass
- 307.3 g/mol
- Monoisotopic mass
- 307.1208434
Names & identifiers
- Preferred name
- trans-3,4-Dihydro-9-(hydroxymethyl)-7-methyl-benz(c)acridine-3,4-diol
- IUPAC
- (3S,4S)-9-(hydroxymethyl)-7-methyl-3,4-dihydrobenzo[c]acridine-3,4-diol
Names & synonyms
9-Hydroxymethyl-7-methylbenz(c)acridine-3,4-dihydrodiol160543-14-6CCRIS 73699-HYDROXYMETHYL-7-METHYLBENZ[C]ACRIDINE-3,4-DIHYDRODIOLtrans-3,4-Dihydro-9-(hydroxymethyl)-7-methyl-benz(c)acridine-3,4-diolDTXSID80166931(3S,4S)-9-(hydroxymethyl)-7-methyl-3,4-dihydrobenzo[c]acridine-3,4-diol
Database identifiers
- CAS
160543-14-6- PubChem CID
- 154758
- DTXSID
DTXSID80166931
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…