Chem
J-GLOBAL ID：200907068433024927   Nikkaji number：J13.303E

Acetoisovanillone

アセトイソバニロン
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： C9H10O3
Molecular formula furigana： C9-H10-O3
Molecular weight： 166.176
InChI： InChI=1S/C9H10O3/c1-6(10)7-3-4-9(12-2)8(11)5-7/h3-5,11H,1-2H3
InChI key： YLTGFGDODHXMFB-UHFFFAOYSA-N
SMILES： COc1ccc(cc1O)C(=O)C
Systematic name  (4)：
  • 1-(3-ヒドロキシ-4-メトキシフェニル)エタノン
  • 3′-ヒドロキシ-4′-メトキシアセトフェノン
  • 1-(3-ヒドロキシ-4-メトキシフェニル)エタン-1-オン
  • 1-(3-hydroxy-4-methoxyphenyl)ethan-1-one
Other name (4)：
  • アセトイソバニロン
  • Acetoisovanillone
  • 1-(3-Hydroxy-4-methoxyphenyl)ethanone
  • 3′-Hydroxy-4′-methoxyacetophenone
CAS registry number： 6100-74-9
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