Chem
J-GLOBAL ID：200907021883878857
Nikkaji number：J2.453.844C
3α-(2,6-Dimethoxyphenyl)-2,1-benzooxaborole-1(3H)-ol
3α-(2,6-ジメトキシフェニル)-2,1-ベンゾオキサボロール-1(3H)-オール
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： C15H15BO4
Molecular formula furigana： C15-H15-B-O4
Molecular weight： 270.090
InChI：
InChI=1S/C15H15BO4/c1-18-12-8-5-9-13(19-2)14(12)15-10-6-3-4-7-11(10)16(17)20-15/h3-9,15,17H,1-2H3/t15-/m0/s1
InChI key：
VTOFLFBWWUPXCB-HNNXBMFYSA-N
SMILES：
COc1cccc(OC)c1[C@H]1OB(O)c2ccccc12
Systematic name (3)：
- 3α-(2,6-ジメトキシフェニル)-2,1-ベンゾオキサボロール-1(3H)-オール
- (3S)-3-(2,6-ジメトキシフェニル)-1,3-ジヒドロ-2,1-ベンゾオキサボロール-1-オール
- (3S)-3-(2,6-dimethoxyphenyl)-1,3-dihydro-2,1-benzoxaborol-1-ol
- 3α-(2,6-Dimethoxyphenyl)-2,1-benzooxaborole-1(3H)-ol
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