CAS
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Specification
The molecular formula is C7H14O2.
The molecular weight is 130.18 g/mol.
The IUPAC name is (1S,2S)-2-methoxycyclohexan-1-ol.
The InChI is InChI=1S/C7H14O2/c1-9-7-5-3-2-4-6(7)8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1.
The InChIKey is DCQQZLGQRIVCNH-BQBZGAKWSA-N.
The canonical SMILES is COC1CCCCC1O.
The isomeric SMILES is CO[C@H]1CCCC[C@@H]1O.
The XLogP3-AA value is 0.7.
There is 1 hydrogen bond donor count.
There are 2 hydrogen bond acceptor counts.