Chem
J-GLOBAL ID：200907072137342392
Nikkaji number：J1.971.447K
2,2-Dimethyl-5-hexynoic acid
2,2-ジメチル-5-ヘキシン酸
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： C8H12O2
Molecular formula furigana： C8-H12-O2
Molecular weight： 140.182
InChI：
InChI=1S/C8H12O2/c1-4-5-6-8(2,3)7(9)10/h1H,5-6H2,2-3H3,(H,9,10)
InChI key：
SBROPWZUBQDYTJ-UHFFFAOYSA-N
SMILES：
CC(C)(CCC#C)C(=O)O
Systematic name (3)：
- 2,2-ジメチル-5-ヘキシン酸
- 2,2-ジメチルヘキサ-5-イン酸
- 2,2-dimethylhex-5-ynoic acid
- 2,2-Dimethyl-5-hexynoic acid
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