5,6-Dihydrobenz(a)anthracene-5,6-diol
Basic information
- CAS
1421-78-9- Standard SMILES
OC1c2ccccc2-c2cc3ccccc3cc2C1O- InChIKey
DCXCOTLBZGXMOH-UHFFFAOYSA-N- Molecular formula
- C18H14O2
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.09937969
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 5,6-Dihydrobenz(a)anthracene-5,6-diol
- IUPAC
- 5,6-dihydrobenzo[c]anthracene-5,6-diol
- English name
- benzanthracene-5,6-dihydrodiol
- Molecular formula
- C18H14O2
- Molecular weight
- 262.3
Names & synonyms
Benzanthracene-5,6-dihydrodiol1421-78-95,6-Dihydrobenz(a)anthracene-5,6-diol5,6-dihydro-5,6-dihydroxybenz(a)anthracene5,6-Dihydro-5,6-dihydroxybenz[a]anthracenebenz(a)anthrene-5,6-dihydrodiolRefChem:912952Benz(a)anthracene-5,6-dihydrodiolBenz[a]anthracene-5,6-dihydrodiolNSC 97687BA-5,6-cis-Dihydrodiol5,6-Dihydro-5,6-dihydroxy benz(a)anthracene
Show more names
5,6-Dihydrobenz[a]anthracene-5,6-diolBenz[a]anthracene-5,6-diol, 5,6-dihydro-5,6-Dihydroxy-5,6-dihydro-benzanthracen
5,6-dihydrotetraphene-5,6-diolDTXSID60931341NSC97687Benz(a)anthracene-5,6-cis-dihydrodiolBenz(a)anthracene-5,6-diol, 5,6-dihydro-Benz(a)anthracene, 5,6-dihydro-5,6-dihydroxy-cis-5,6-Dihydro-5,6-dihydroxybenz(a)anthraceneBenz(a)anthracene-5,6-diol, 5,6-dihydro-, (Z)-
Database identifiers
- CAS
1421-78-9、32373-17-4- PubChem CID
- 98300
- DTXSID
DTXSID60931341- Nikkaji
- J73.228A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Melting point
- 202 · 202-204 °C (decomp)
- Boiling point
- 365.55 °C · 365.55°C (rough estimate)
- Density
- 1.1113 · 1.1113 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- pka
- 13.4 · 13.40±0.40(Predicted)
- Toxicity
- 4 mg/L · otr-ham:emb 4 mg/L CNREA8 32,1391,72
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- otr-ham:emb 4 mg/L CNREA8 32,1391,72
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…