Chem
J-GLOBAL ID：200907051865565686
Nikkaji number：J2.102.889D
7-Hydroxy-2-heptynoic acid butyl ester
7-ヒドロキシ-2-ヘプチン酸ブチル
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： C11H18O3
Molecular formula furigana： C11-H18-O3
Molecular weight： 198.262
InChI：
InChI=1S/C11H18O3/c1-2-3-10-14-11(13)8-6-4-5-7-9-12/h12H,2-5,7,9-10H2,1H3
InChI key：
JKXDMCAVWNOAKC-UHFFFAOYSA-N
SMILES：
CCCCOC(=O)C#CCCCCO
Systematic name (3)：
- 7-ヒドロキシ-2-ヘプチン酸ブチル
- ブチル 7-ヒドロキシヘプタ-2-イノアート
- butyl 7-hydroxyhept-2-ynoate
- 7-Hydroxy-2-heptynoic acid butyl ester
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