Chem
J-GLOBAL ID：200907020676466313   Nikkaji number：J2.349.087K

3-(5,5-Dimethyl-1,3,2-dioxaborinane-2-yl)benzoic acid methyl ester

3-(5,5-ジメチル-1,3,2-ジオキサボリナン-2-イル)安息香酸メチル
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： C13H17BO4
Molecular formula furigana： C13-H17-B-O4
Molecular weight： 248.090
InChI： InChI=1S/C13H17BO4/c1-13(2)8-17-14(18-9-13)11-6-4-5-10(7-11)12(15)16-3/h4-7H,8-9H2,1-3H3
InChI key： PHKPMLLLOVGICM-UHFFFAOYSA-N
SMILES： COC(=O)c1cccc(c1)B1OCC(C)(C)CO1
Systematic name  (3)：
  • 3-(5,5-ジメチル-1,3,2-ジオキサボリナン-2-イル)安息香酸メチル
  • メチル 3-(5,5-ジメチル-1,3,2-ジオキサボリナン-2-イル)ベンゾアート
  • methyl 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate
Other name (1)：
  • 3-(5,5-Dimethyl-1,3,2-dioxaborinane-2-yl)benzoic acid methyl ester
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