Basic information
- CAS
21016-53-5- Standard SMILES
O[C@@H]1CCc2ccccc2[C@@H]1O- InChIKey
KMQJJAOZMONGLS-ZJUUUORDSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- (1S,2R)-1,2,3,4-tetrahydronaphthalene-1,2-diol
- IUPAC
- (1S,2R)-1,2,3,4-tetrahydronaphthalene-1,2-diol
- English name
- rel-1,2,3,4-Tetrahydronaphthalene-1α*,2α*-diol
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
(1S,2R)-1,2,3,4-tetrahydronaphthalene-1,2-diol21016-53-5SCHEMBL19899051SBB087801rel-1,2,3,4-Tetrahydronaphthalene-1alpha*,2alpha*-diol1,2-Naphthalenediol, 1,2,3,4-tetrahydro-, (1S,2R)-rel-1,2,3,4-Tetrahydronaphthalene-1α*,2α*-diol1,2-Naphthalenediol, 1,2,3,4-tetrahydro-, (1R,2S)-rel-
Database identifiers
- CAS
21016-53-5- PubChem CID
- 88754
- Nikkaji
- J259.479J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Melting point
- 101 °C · 101 °C
- Boiling point
- 308.4 · 308.4±42.0 °C(Predicted)
- Density
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- pka
- 13.81 · 13.81±0.40(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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