Basic information
- CAS
75453-80-4- Standard SMILES
OC1C=CC=CC1O- InChIKey
YDRSQRPHLBEPTP-UHFFFAOYSA-N- Molecular formula
- C6H8O2
- Average molar mass
- 112.13 g/mol
- Monoisotopic mass
- 112.05242949
Overview
Cyclohexa-3,5-diene-1,2-diol is a member of catechols. It derives from a hydride of a cyclohexa-1,3-diene.
Names & identifiers
- Preferred name
- 5,6-Dihydroxycyclohexa-1,3-diene
- IUPAC
- cyclohexa-3,5-diene-1,2-diol
- English name
- 5,6-dihydroxycyclohexa-1,3-diene
- Molecular formula
- C6H8O2
- Molecular weight
- 112.13
Names & synonyms
5,6-Dihydroxycyclohexa-1,3-diene75453-80-4RefChem:9129633,5-Cyclohexadiene-1,2-diolcyclohexa-3,5-diene-1,2-diolBenzene cis-glycolBenzene dihydrodiolCCRIS 8062BENZENEDIHYDRODIOLSCHEMBL360628SCHEMBL600777SCHEMBL679126
Show more names
1,2-dihydrobenzene-1,2-diolCHEBI:18887DTXSID308693891,2-Dihydro-1,2-dihydroxybenzeneQ27109097dissodium 6-chloro-4-oxo-10-propyl-4H-pyrano<3,2-g>quinoline-2,8-dicarboxylate
Database identifiers
- CAS
75453-80-4- PubChem CID
- 418
- DTXSID
DTXSID30869389- ChEBI
CHEBI:18887- Nikkaji
- J2.651.189E、J790.299I
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Boiling point
- 226.4 · 226.4±28.0 °C(Predicted)
- Density
- 1.288 · 1.288±0.06 g/cm3(Predicted)
- pka
- 13.12 · 13.12±0.40(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Cyclohexa-3,5-diene-1,2-diol is a member of catechols. It derives from a hydride of a cyclohexa-1,3-diene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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