Chem
J-GLOBAL ID：200907084715066610
Nikkaji number：J2.212.166I
3-Phenyl-3-propargyl-1,3-propanediol
3-フェニルヘキサ-5-イン-1,3-ジオール
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： C12H14O2
Molecular formula furigana： C12-H14-O2
Molecular weight： 190.242
InChI：
InChI=1S/C12H14O2/c1-2-8-12(14,9-10-13)11-6-4-3-5-7-11/h1,3-7,13-14H,8-10H2
InChI key：
IEKVTTDTAXUUIA-UHFFFAOYSA-N
SMILES：
OCCC(O)(CC#C)c1ccccc1
Systematic name (3)：
- 3-フェニル-3-プロパルギル-1,3-プロパンジオール
- 3-フェニルヘキサ-5-イン-1,3-ジオール
- 3-phenylhex-5-yne-1,3-diol
- 3-Phenyl-3-propargyl-1,3-propanediol
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