Chem
J-GLOBAL ID：201007028903357030
Nikkaji number：J2.806.080G
3-Bromo-4-oxopentanoic acid methyl ester
3-ブロモ-4-オキソペンタン酸メチル
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： C6H9BrO3
Molecular formula furigana： C6-H9-BR-O3
Molecular weight： 209.039
InChI：
InChI=1S/C6H9BrO3/c1-4(8)5(7)3-6(9)10-2/h5H,3H2,1-2H3
InChI key：
PYEPIWRQEUGIRK-UHFFFAOYSA-N
SMILES：
COC(=O)CC(Br)C(=O)C
Systematic name (3)：
- 3-ブロモ-4-オキソペンタン酸メチル
- メチル 3-ブロモ-4-オキソペンタノアート
- methyl 3-bromo-4-oxopentanoate
- 3-Bromo-4-oxopentanoic acid methyl ester
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