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Home >> Chemical Listing >> Page 2817 >> 2-(4-Ethynylphenyl)-3-methylbutanoic acid

2-(4-Ethynylphenyl)-3-methylbutanoic acid
[CAS# 86579-74-0]

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Identification
Name 2-(4-Ethynylphenyl)-3-methylbutanoic acid
Synonyms 2-(4-ethynylphenyl)-3-methylbutanoic acid
Molecular Structure CAS#: 86579-74-0, 2-(4-Ethynylphenyl)-3-methylbutanoic acid
Molecular Formula C13H14O2
Molecular Weight 202.25
CAS Registry Number 86579-74-0
SMILES CC(C)C(c1ccc(cc1)C#C)C(=O)O
InChI 1S/C13H14O2/c1-4-10-5-7-11(8-6-10)12(9(2)3)13(14)15/h1,5-9,12H,2-3H3,(H,14,15)
InChIKey NGVULFRVDGBPHM-UHFFFAOYSA-N
Properties
Density 1.091g/cm3 (Cal.)
Boiling point 320.386°C at 760 mmHg (Cal.)
Flash point 152.449°C (Cal.)
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