Chem
J-GLOBAL ID：200907008192257728
Nikkaji number：J1.824.244C
(3aS)-6-Methyl-1,2,3,3aα,4,6aα-hexahydropentalene-1-one
(3aS)-6-メチル-1,2,3,3aα,4,6aα-ヘキサヒドロペンタレン-1-オン
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： C9H12O
Molecular formula furigana： C9-H12-O
Molecular weight： 136.194
InChI：
InChI=1S/C9H12O/c1-6-2-3-7-4-5-8(10)9(6)7/h2,7,9H,3-5H2,1H3/t7-,9-/m1/s1
InChI key：
BHWFPVPBGWTRIZ-VXNVDRBHSA-N
SMILES：
CC1=CC[C@@H]2CCC(=O)[C@H]12
Systematic name (4)：
- (3aS,6aα)-6-メチル-3,3aα,4,6aα-テトラヒドロペンタレン-1(2H)-オン
- (3aS)-6-メチル-1,2,3,3aα,4,6aα-ヘキサヒドロペンタレン-1-オン
- (3aS,6aS)-6-メチル-1,2,3,3a,4,6a-ヘキサヒドロペンタレン-1-オン
- (3aS,6aS)-6-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-one
- (3aS,6aα)-6-Methyl-3,3aα,4,6aα-tetrahydropentalene-1(2H)-one
- (3aS)-6-Methyl-1,2,3,3aα,4,6aα-hexahydropentalene-1-one
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