Basic information
- CAS
14211-53-1- Standard SMILES
OC1CCc2ccccc2C1O- InChIKey
KMQJJAOZMONGLS-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Overview
RN refers to (1R-cis)-isomer; structure given in first source
Names & identifiers
- Preferred name
- 1,2-Dihydroxy-1,2,3,4-tetrahydronaphthalene
- IUPAC
- 1,2,3,4-tetrahydronaphthalene-1,2-diol
- English name
- (+)-cis-1(R),2(S)-1,2-Dihydroxy-1,2,3,4-tetrahydronaphthalene
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
1,2-Dihydroxytetralin1,2-Dihydroxy-1,2,3,4-tetrahydronaphthaleneRefChem:90673257495-92-81,2,3,4-tetrahydronaphthalene-1,2-diol1,2-Naphthalenediol, 1,2,3,4-tetrahydro-, trans-14211-53-11,2-Naphthalenediol, 1,2,3,4-tetrahydro-, (1R-cis)-Tetralin-1,2-dioltrans-Tetralin-1,2-Diol(+)-CIS-1(R),2(S)-1,2-DIHYDROXY-1,2,3,4-TETRAHYDRONAPHTHALENE(1R,2S)-Tetralin-1,2-diol
Show more names
(1S)-Tetralin-1α,2β-diol(1R)-Tetralin-1β,2β-diol(1S,2R)-Tetralin-1α,2α-diol1,2,3,4-Tetrahydro-1,2-naphthalenediol.1,2,3,4-Tetrahydronaphthalene-1β,2β-diol(1S)-1,2,3,4-Tetrahydronaphthalene-1α,2α-diol(1R,2S)-1,2,3,4-tetrahydronaphthalene-1,2-diol
1,2,3,4-Tetrahydro-1,2-naphthalenedioltetrahydronaphthalene diol1,2-Naphthalenediol, 1,2,3,4-tetrahydro-trans-1,2,3,4-Tetrahydro-1,2-naphthalenediolSCHEMBL4195494DTXSID70931357KMQJJAOZMONGLS-UHFFFAOYSA-N41137-14-8
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
- 135 · 135-138 °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)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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