7-Methylbenz(c)acridine-3,4-dihydrodiol
Basic information
- CAS
92145-26-1- Standard SMILES
Cc1c2ccccc2nc2c3c(ccc12)[C@@H](O)[C@H](O)C=C3- InChIKey
FDRGZRMEGHZBID-SJLPKXTDSA-N- Molecular formula
- C18H15NO2
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.11027872
Overview
RN given refers to (trans)-isomer; structure given in first source
Names & identifiers
- Preferred name
- 7-Methylbenz(c)acridine-3,4-dihydrodiol
- IUPAC
- (3R,4R)-7-methyl-3,4-dihydrobenzo[c]acridine-3,4-diol
- English name
- 7-methylbenz(c)acridine-3,4-dihydrodiol
- Molecular formula
- C18H15NO2
- Molecular weight
- 277.322
Names & synonyms
7-Methylbenz(c)acridine-3,4-dihydrodiol92145-26-1RefChem:1063687-MBA-3,4-dioltrans-3,4-Dihydro-3,4-dihydroxy-7-methylbenz(c)acridine(3R,4R)-7-methyl-3,4-dihydrobenzo[c]acridine-3,4-diol7-Methylbenz(c)acridine 3,4-dihydrodioltrans-3,4-Dihydroxy-3,4-dihydro-7-methylbenz(c)acridine7-methyl-3,4-dihydrobenzo[c]acridine-3,4-diolDTXSID20919347BENZ(c)ACRIDINE-3,4-DIOL, 3,4-DIHYDRO-7-METHYL-, trans-
Database identifiers
- CAS
92145-26-1- PubChem CID
- 56345
- DTXSID
DTXSID20919347- Nikkaji
- J346.670A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 423
Physicochemical properties
- Boiling point
- 420.18 °C · 420.18°C (rough estimate)
- Density
- 1.1657 · 1.1657 (rough estimate)
- refractive index
- 1.51 · 1.5100 (estimate)
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Compound notes
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