Chem
J-GLOBAL ID：200907036292883565   Nikkaji number：J6.053D

Isocoumarin

イソクマリン
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： C9H6O2
Molecular formula furigana： C9-H6-O2
Molecular weight： 146.145
InChI： InChI=1S/C9H6O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H
InChI key： IQZZFVDIZRWADY-UHFFFAOYSA-N
SMILES： O=c1occc2ccccc12
Systematic name  (4)：
  • 1H-2-ベンゾピラン-1-オン
  • イソクマリン
  • 1H-イソクロメン-1-オン
  • 1H-isochromen-1-one
Other name (6)：
  • 3,4-ベンゾ-2-ピロン
  • 3,4-デヒドロ-1-イソクロマノン
  • 3,4-Dehydro-1-isochromanone
  • 1H-2-Benzopyran-1-one
  • Isocoumarin
Show all
CAS registry number： 491-31-6
Regulation number (1)：
  • TSCA(491-31-6)
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