Basic information
- CAS
63453-92-9- Standard SMILES
OC1C=CC(O)C=C1- InChIKey
MMLJDECBZWQXCV-UHFFFAOYSA-N- Molecular formula
- C6H8O2
- Average molar mass
- 112.13 g/mol
- Monoisotopic mass
- 112.05242949
Names & identifiers
- Preferred name
- 2,5-Cyclohexadiene-1,4-diol
- IUPAC
- cyclohexa-2,5-diene-1,4-diol
Names & synonyms
2,5-Cyclohexadiene-1,4-diol63453-92-9DTXSID40338374RefChem:247192DTXCID00289459MMLJDECBZWQXCV-UHFFFAOYSA-Ncyclohexa-2,5-diene-1,4-diolSCHEMBL13318485
Database identifiers
- CAS
63453-92-9- PubChem CID
- 548773
- DTXSID
DTXSID40338374- Nikkaji
- J1.863.591G
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
- 98.5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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