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Home >> Chemical Listing >> Page 3085 >> 3-Cyano-5-(2-methyl-2-propanyl)benzoic acid

3-Cyano-5-(2-methyl-2-propanyl)benzoic acid
[CAS# 942077-12-5]

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Identification
Name 3-Cyano-5-(2-methyl-2-propanyl)benzoic acid
Synonyms 3-Cyan-5-(2-methyl-2-propanyl)benzoesäure; 3-Cyano-5-(2-methyl-2-propanyl)benzoic acid; 3-Cyano-5-tert-butylbenzoic acid
Molecular Structure CAS#: 942077-12-5, 3-Cyano-5-(2-methyl-2-propanyl)benzoic acid
Molecular Formula C12H13NO2
Molecular Weight 203.24
CAS Registry Number 942077-12-5
SMILES CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C#N
InChI 1S/C12H13NO2/c1-12(2,3)10-5-8(7-13)4-9(6-10)11(14)15/h4-6H,1-3H3,(H,14,15)
InChIKey XPKGPEUHQNUSRA-UHFFFAOYSA-N
Properties
Density 1.1±0.1g/cm3 (Cal.)
Boiling point 340.0±35.0°C at 760 mmHg (Cal.)
Flash point 159.4±25.9°C (Cal.)
Refractive index 1.548 (Cal.)
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