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4-(3-Hydroxy-3-Methyl-1-Butyn-1-Yl)Benzoic Acid
[CAS# 63165-02-6]

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Identification
Name 4-(3-Hydroxy-3-Methyl-1-Butyn-1-Yl)Benzoic Acid
Synonyms 4-(3-Hydroxy-3-methyl but-1-ynyl)benzoic acid; 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoic acid; 4-(3-Hydroxy-3-methylbut-1-ynyl)benzoicacid
Molecular Structure CAS#: 63165-02-6, 4-(3-Hydroxy-3-Methyl-1-Butyn-1-Yl)Benzoic Acid
Molecular Formula C12H12O3
Molecular Weight 204.22
CAS Registry Number 63165-02-6
SMILES O=C(O)c1ccc(C#CC(O)(C)C)cc1
InChI 1S/C12H12O3/c1-12(2,15)8-7-9-3-5-10(6-4-9)11(13)14/h3-6,15H,1-2H3,(H,13,14)
InChIKey JBLUITWCDABZAF-UHFFFAOYSA-N
Properties
Density 1.244g/cm3 (Cal.)
Boiling point 370.667°C at 760 mmHg (Cal.)
Flash point 192.154°C (Cal.)
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