Chem
J-GLOBAL ID：200907089666010710   Nikkaji number：J6.826H

2-Benzylacetoacetic acid ethyl ester

2-ベンジルアセト酢酸エチル
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： C13H16O3
Molecular formula furigana： C13-H16-O3
Molecular weight： 220.268
InChI： InChI=1S/C13H16O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3
InChI key： XDWQYMXQMNUWID-UHFFFAOYSA-N
SMILES： CCOC(=O)C(Cc1ccccc1)C(=O)C
Systematic name  (9)：
  • 2-ベンジル-3-オキソブタン酸エチル
  • 3-フェニル-2-アセチルプロピオン酸エチル
  • 2-ベンジルアセト酢酸エチル
  • 2-ベンジル-3-オキソ酪酸エチル
  • 2-アセチル-3-フェニルプロピオン酸エチル
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Other name (10)：
  • α-ベンジルアセト酢酸エチル
  • α-Benzylacetoacetic acid ethyl
  • 2-Benzylacetoacetic acid ethyl ester
  • 2-Benzyl-3-oxobutyric acid ethyl ester
  • 2-Acetyl-3-phenylpropionic acid ethyl ester
Show all
CAS registry number： 620-79-1
Regulation number (3)：
  • 4-(7)-844
  • (3)-3090
  • EINECS2106514
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