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168194-08-9

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Basic Information
CAS No.: 168194-08-9
Name: 4-(2-Methyl-allyl)-benzoic acid
Molecular Structure:
Molecular Structure of 168194-08-9 (4-(2-Methyl-allyl)-benzoic acid)
Formula: C11H12O2
Molecular Weight: 176.21
Synonyms: 4-(2-METHYL-2-PROPENYL)BENZOIC ACID;4-(2-METHYL-ALLYL)-BENZOIC ACID
Density: 1.083 g/cm3
Melting Point: 161.5-163.5 °C(Solv: ethanol (64-17-5))
Boiling Point: 301 °C at 760 mmHg
Flash Point: 141.3 °C
PSA: 37.30000
LogP: 2.50340
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    factory?direct?sale Application:healing drugs

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    4-(2-METHYL-2-ALLYL)BENZOIC ACIDAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The 4-(2-Methyl-allyl)-benzoic acid is an organic compound with the formula C11H12O2. With the CAS registry number 168194-08-9, its systematic name is 4-(2-methylprop-2-en-1-yl)benzoic acid.

Physical properties of 4-(2-Methyl-allyl)-benzoic acid: (1)ACD/LogP: 3.47; (2)ACD/LogD (pH 5.5): 2.23; (3)ACD/LogD (pH 7.4): 0.64; (4)ACD/BCF (pH 5.5): 14.88; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 107.43; (7)ACD/KOC (pH 7.4): 2.71; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.546; (12)Molar Refractivity: 51.56 cm3; (13)Molar Volume: 162.6 cm3; (14)Surface Tension: 40.6 dyne/cm; (15)Density: 1.083 g/cm3; (16)Flash Point: 141.3 °C; (17)Enthalpy of Vaporization: 57.14 kJ/mol; (18)Boiling Point: 301 °C at 760 mmHg; (19)Vapour Pressure: 0.000482 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C=C(C)Cc1ccc(cc1)C(O)=O
(2)InChI: InChI=1/C11H12O2/c1-8(2)7-9-3-5-10(6-4-9)11(12)13/h3-6H,1,7H2,2H3,(H,12,13)
(3)InChIKey: SAMZPPSIMZAULA-UHFFFAOYAC