CAS No.26114-12-5,4-Propylphenylacetic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	26114-12-5
Name:	4-Propylphenylacetic acid
Article Data:	3

Formula:	C₁₁H₁₄O₂
Molecular Weight:	178.231
Synonyms:	Aceticacid, (p-propylphenyl)- (8CI);4-Propylbenzeneacetic acid;4-Propylphenylaceticacid;
Density:	1.072 g/cm³
Boiling Point:	304 °C at 760 mmHg
Flash Point:	201.1 °C
Hazard Symbols:	Xi
Risk Codes:	22
PSA:	37.30000
LogP:	2.26620

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Specification

The CAS register number of 4-Propylphenylacetic acid is 26114-12-5. It also can be called as Benzeneacetic acid,4-propyl- and the systematic name about this chemical is (4-propylphenyl)acetic acid. The molecular formula about this chemical is C₁₁H₁₄O₂and the molecular weight is 178.23.

Physical properties about 4-Propylphenylacetic acid are: (1)ACD/LogP: 3.03; (2)ACD/LogD (pH 5.5): 1.89; (3)ACD/LogD (pH 7.4): 0.09; (4)ACD/BCF (pH 5.5): 8.52; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 76.5; (7)ACD/KOC (pH 7.4): 1.22; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 26.3Å²; (12)Index of Refraction: 1.532; (13)Molar Refractivity: 51.54 cm³; (14)Molar Volume: 166.2 cm³; (15)Polarizability: 20.43x10^-24cm³; (16)Surface Tension: 41.5 dyne/cm; (17)Enthalpy of Vaporization: 57.47 kJ/mol; (18)Boiling Point: 304 °C at 760 mmHg; (19)Vapour Pressure: 0.000396 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc1ccc(cc1)CCC
(2)InChI: InChI=1/C11H14O2/c1-2-3-9-4-6-10(7-5-9)8-11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)
(3)InChIKey: CNMLOXDIFVZRNO-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C11H14O2/c1-2-3-9-4-6-10(7-5-9)8-11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)
(5)Std. InChIKey: CNMLOXDIFVZRNO-UHFFFAOYSA-N