Chem
J-GLOBAL ID:200907001011250498   Nikkaji number:J1.717.092I

(3aS)-4-Ethyl-3aα,7aα-dihydro-1,3-benzodioxole-6(7H)-one

(3aS)-4-エチル-3aα,7aα-ジヒドロ-1,3-ベンゾジオキソール-6(7H)-オン
Substance type:
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
Molecular formula: C9H12O3
Molecular formula furigana: C9-H12-O3
Molecular weight: 168.192
InChI: InChI=1S/C9H12O3/c1-2-6-3-7(10)4-8-9(6)12-5-11-8/h3,8-9H,2,4-5H2,1H3/t8-,9+/m1/s1
InChI key: DVVDYPMMGFYINC-BDAKNGLRSA-N
SMILES: CCC1=CC(=O)C[C@H]2OCO[C@@H]12
Systematic name  (3):
  • (3aS)-4-エチル-3aα,7aα-ジヒドロ-1,3-ベンゾジオキソール-6(7H)-オン
  • (3aR,7aS)-7-エチル-3a,4,5,7a-テトラヒドロ-2H-1,3-ベンゾジオキソール-5-オン
  • (3aR,7aS)-7-ethyl-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxol-5-one
Other name (1):
  • (3aS)-4-Ethyl-3aα,7aα-dihydro-1,3-benzodioxole-6(7H)-one
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