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3-(3-Hydroxy-3-methyl-1-butyn-1-yl)benzoic acid
[CAS# 878742-28-0]

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Identification
Name 3-(3-Hydroxy-3-methyl-1-butyn-1-yl)benzoic acid
Synonyms 3-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoic acid; 3-(3-Hydroxy-3-methylbut-1-ynyl)benzoic acid; Benzoic acid, 3-(3-hydroxy-3-methyl-1-butynyl)-
Molecular Structure CAS#: 878742-28-0, 3-(3-Hydroxy-3-methyl-1-butyn-1-yl)benzoic acid
Molecular Formula C12H12O3
Molecular Weight 204.22
CAS Registry Number 878742-28-0
SMILES CC(C)(C#Cc1cccc(c1)C(=O)O)O
InChI 1S/C12H12O3/c1-12(2,15)7-6-9-4-3-5-10(8-9)11(13)14/h3-5,8,15H,1-2H3,(H,13,14)
InChIKey VKXLALQKRXWOJK-UHFFFAOYSA-N
Properties
Density 1.244g/cm3 (Cal.)
Boiling point 389.25°C at 760 mmHg (Cal.)
Flash point 203.38°C (Cal.)
Refractive index 1.594 (Cal.)
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