Dibenz(a,h)anthracene-1,2,3,4-tetrahydro-3,4-diol
Basic information
- CAS
83197-99-3- Standard SMILES
OC1CCc2c(ccc3cc4c(ccc5ccccc54)cc23)C1O- InChIKey
MUKIATZFWSBOHR-UHFFFAOYSA-N- Molecular formula
- C22H18O2
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.13067981
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- Dibenz(a,h)anthracene-1,2,3,4-tetrahydro-3,4-diol
- IUPAC
- 1,2,3,4-tetrahydronaphtho[1,2-b]phenanthrene-3,4-diol
- English name
- dibenz(a,h)anthracene-1,2,3,4-tetrahydro-3,4-diol
- Molecular formula
- C22H18O2
- Molecular weight
- 314.38
Names & synonyms
83197-99-3Dibenzoanthracene-1,2,3,4-tetrahydro-3,4-diolDibenz(a,h)anthracene-1,2,3,4-tetrahydro-3,4-diolRefChem:1327891,2,3,4-tetrahydronaphtho[1,2-b]phenanthrene-3,4-dioltrans-3,4-Dihydroxy-1,2,3,4-tetrahydrodibenzo(a,h)anthraceneDibenz(a,h)anthracene-3,4-diol, 1,2,3,4-tetrahydro-, trans-DTXSID6010031921,2,3,4-tetrahydrobenzo[k]tetraphene-3,4-diol
Database identifiers
- CAS
83197-99-3- PubChem CID
- 196244
- DTXSID
DTXSID601003192
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 463
Physicochemical properties
- Boiling point
- 586.333 · 586.333±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.352 · 1.352±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.85 · 13.850±0.40(predicted)
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Compound notes
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