1,2,3,5-Cyclohexanetetrol
Basic information
- CAS
136936-97-5- Standard SMILES
OC1CC(O)C(O)C(O)C1- InChIKey
SNGBOMOBDFAYFR-UHFFFAOYSA-N- Molecular formula
- C6H12O4
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.07355886
Names & identifiers
- Preferred name
- 1,2,3,5-Cyclohexanetetrol
- IUPAC
- cyclohexane-1,2,3,5-tetrol
Names & synonyms
1,2,3,5-Cyclohexanetetrol136936-97-5DTXSID903383041,2,3,5-Cyclohexanetetrol, (1.alpha.,2.beta.,3.alpha.,5.beta.)-RefChem:214558DTXCID202893901,2,3,5-Cyclohexanetetrol, (1alpha,2beta,3alpha,5beta)-SNGBOMOBDFAYFR-UHFFFAOYSA-Ncyclohexane-1,2,3,5-tetrolSCHEMBL1964139SCHEMBL77097981,2,3,5-Cyclohexanetetrol #
Show more names
SCHEMBL22196099SCHEMBL23113045
Database identifiers
- CAS
136936-97-5- PubChem CID
- 548226
- DTXSID
DTXSID90338304- Nikkaji
- J36.770B
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 104
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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