Chem
J-GLOBAL ID：200907090039157771
Nikkaji number：J2.117.297I
(3aS)-5-Methyl-1,3,3aα,4,7,7aα-hexahydroisobenzofuran-1-one
(3aS)-5-メチル-1,3,3aα,4,7,7aα-ヘキサヒドロイソベンゾフラン-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： C9H12O2
Molecular formula furigana： C9-H12-O2
Molecular weight： 152.193
InChI：
InChI=1S/C9H12O2/c1-6-2-3-8-7(4-6)5-11-9(8)10/h2,7-8H,3-5H2,1H3/t7-,8-/m1/s1
InChI key：
LSUXLXBXMAGQDH-HTQZYQBOSA-N
SMILES：
CC1=CC[C@@H]2[C@@H](COC2=O)C1
Systematic name (3)：
- (3aS)-5-メチル-1,3,3aα,4,7,7aα-ヘキサヒドロイソベンゾフラン-1-オン
- (3aS,7aR)-5-メチル-1,3,3a,4,7,7a-ヘキサヒドロ-2-ベンゾフラン-1-オン
- (3aS,7aR)-5-methyl-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1-one
- (3aS)-5-Methyl-1,3,3aα,4,7,7aα-hexahydroisobenzofuran-1-one
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