Chem
J-GLOBAL ID：200907078872512003
Nikkaji number：J514.666F
3β-Methylcyclohexane-1β,2α-diol
3β-メチルシクロヘキサン-1β,2α-ジオール
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C7H14O2
Molecular formula furigana： C7-H14-O2
Molecular weight： 130.187
InChI：
InChI=1S/C7H14O2/c1-5-3-2-4-6(8)7(5)9/h5-9H,2-4H2,1H3/t5-,6+,7+/m0/s1
InChI key：
VFRVYGUCOZPHEQ-RRKCRQDMSA-N
SMILES：
C[C@H]1CCC[C@@H](O)[C@@H]1O
Systematic name (3)：
- 3β-メチルシクロヘキサン-1β,2α-ジオール
- (1R,2R,3S)-3-メチルシクロヘキサン-1,2-ジオール
- (1R,2R,3S)-3-methylcyclohexane-1,2-diol
- 3β-Methylcyclohexane-1β,2α-diol
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