Chem
J-GLOBAL ID：200907002117897527
Nikkaji number：J2.212.646F
(E)-3-Ethoxy-3-(1,3-benzodioxole-5-yl)propenal
(E)-3-エトキシ-3-(1,3-ベンゾジオキソール-5-イル)プロペナール
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： C12H12O4
Molecular formula furigana： C12-H12-O4
Molecular weight： 220.224
InChI：
InChI=1S/C12H12O4/c1-2-14-10(5-6-13)9-3-4-11-12(7-9)16-8-15-11/h3-7H,2,8H2,1H3/b10-5+
InChI key：
GGFLTPFDSIPINH-BJMVGYQFSA-N
SMILES：
CCO/C(=C/C=O)/c1ccc2OCOc2c1
Systematic name (3)：
- (E)-3-エトキシ-3-(1,3-ベンゾジオキソール-5-イル)プロペナール
- (2E)-3-(2H-1,3-ベンゾジオキソール-5-イル)-3-エトキシプロパ-2-エナール
- (2E)-3-(2H-1,3-benzodioxol-5-yl)-3-ethoxyprop-2-enal
- (E)-3-Ethoxy-3-(1,3-benzodioxole-5-yl)propenal
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