Basic information
- CAS
160543-15-7- Standard SMILES
Cc1ccc2nc3c4c(ccc3c(CO)c2c1)[C@H](O)[C@@H](O)C=C4- InChIKey
DNEPJUCYUHOIQT-HKUYNNGSSA-N- Molecular formula
- C19H17NO3
- Average molar mass
- 307.3 g/mol
- Monoisotopic mass
- 307.1208434
Names & identifiers
- Preferred name
- 7-Hydroxymethyl-9-methylbenz(c)acridine-3,4-dihydrodiol
- IUPAC
- (3S,4S)-7-(hydroxymethyl)-9-methyl-3,4-dihydrobenzo[c]acridine-3,4-diol
Names & synonyms
CCRIS 73707-Hydroxymethyl-9-methylbenz(c)acridine-3,4-dihydrodiolUNII-LA72X3399P160543-15-7LA72X3399PDTXSID40166932trans-3,4-Dihydro-7-(hydroxymethyl)-9-methyl-benz(c)acridine-3,4-diol7-HYDROXYMETHYL-9-METHYLBENZ(C)ACRIDINE-3,4-DIHYDRODIOL, TRANS-BENZ(C)ACRIDINE-3,4-DIOL, 3,4-DIHYDRO-7-(HYDROXYMETHYL)-9-METHYL-, TRANS-7-HYDROXYMETHYL-9-METHYLBENZ[C]ACRIDINE-3,4-DIHYDRODIOLRefChem:106238DTXCID1089423
Show more names
(3S,4S)-7-(hydroxymethyl)-9-methyl-3,4-dihydrobenzo[c]acridine-3,4-diolQ27282884
Database identifiers
- CAS
160543-15-7- PubChem CID
- 154759
- DTXSID
DTXSID40166932- UNII
- LA72X3399P
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
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