CAS No.4314-68-5,3-(4-METHOXY-PHENYL)-2-PHENYL-PROPIONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4314-68-5
Name:	3-(4-METHOXY-PHENYL)-2-PHENYL-PROPIONIC ACID
Article Data:	15

Formula:	C₁₆H₁₆O₃
Molecular Weight:	256.301
Synonyms:	Propionicacid, 3-(p-methoxyphenyl)-2-phenyl- (6CI,7CI,8CI);3-(4-Methoxyphenyl)-2-phenylpropanoic acid;3-(4-Methoxyphenyl)-2-phenylpropionicacid;NSC 33136;
EINECS:	224-332-2
Density:	1.171 g/cm³
Boiling Point:	381.2 °C at 760 mmHg
Flash Point:	138 °C
Hazard Symbols:	Xi
PSA:	46.53000
LogP:	3.10610

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Specification

The Benzenepropanoic acid,4-methoxy-a-phenyl-, with the CAS registry number 4314-68-5, is also known as NSC33136. Its EINECS registry number is 224-332-2. This chemical's molecular formula is C₁₆H₁₆O₃ and molecular weight is 256.109944. Its IUPAC name is called 3-(4-methoxyphenyl)-2-phenylpropanoic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of Benzenepropanoic acid,4-methoxy-a-phenyl-: (1)ACD/LogP: 3.46; (2)ACD/LogD (pH 5.5): 2.18; (3)ACD/LogD (pH 7.4): 0.4; (4)ACD/BCF (pH 5.5): 13.27; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 96.1; (7)ACD/KOC (pH 7.4): 1.59; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.583; (12)Molar Refractivity: 73.16 cm³; (13)Molar Volume: 218.8 cm³; (14)Surface Tension: 46.9 dyne/cm; (15)Density: 1.171 g/cm³; (16)Flash Point: 138 °C; (17)Enthalpy of Vaporization: 66.4 kJ/mol; (18)Boiling Point: 381.2 °C at 760 mmHg; (19)Vapour Pressure: 1.72E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC=C(C=C1)CC(C2=CC=CC=C2)C(=O)O
(2)InChI: InChI=1S/C16H16O3/c1-19-14-9-7-12(8-10-14)11-15(16(17)18)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,17,18)
(3)InChIKey: GIROORGDVPRQFZ-UHFFFAOYSA-N