Name: 3-(4-HYDROXYPHENYL)-2-PHENYLPROPIONIC ACID
SKU: 89-23-6

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Basic Information

Molecular Structure:
CAS No.:	89-23-6
Name:	3-(4-HYDROXYPHENYL)-2-PHENYLPROPIONIC ACID

Formula:	C₁₅H₁₄O₃
Molecular Weight:	242.274
Synonyms:	Propionicacid, 3-(p-hydroxyphenyl)-2-phenyl- (6CI,8CI);3-(4-Hydroxyphenyl)-2-phenyl-propanoic acid;3-(p-Hydroxyphenyl)-2-phenylpropionicacid;NSC 60596;a-Phenyl-b-(p-hydroxyphenyl)propionic acid;
EINECS:	201-888-4
Density:	1.253g/cm³
Boiling Point:	401.2 °C at 760 mmHg
Flash Point:	210.6 °C
PSA:	57.53000
LogP:	2.80310

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Specification

The Benzenepropanoic acid,4-hydroxy-a-phenyl-, with CAS registry number 89-23-6, has the systematic name of 3-(4-hydroxyphenyl)-2-phenylpropanoic acid. Besides this, it is also called 4-Hydroxy-α-phenylbenzenepropanoic acid. And the chemical formula of this chemical is C₁₅H₁₄O₃.

Physical properties of Benzenepropanoic acid,4-hydroxy-a-phenyl-: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.52; (4)ACD/LogD (pH 7.4): -0.26; (5)ACD/BCF (pH 5.5): 4.12; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 41.32; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 68.37 cm³; (15)Molar Volume: 193.2 cm³; (16)Polarizability: 27.1×10^-24cm³; (17)Surface Tension: 57.1 dyne/cm; (18)Enthalpy of Vaporization: 68.78 kJ/mol; (19)Vapour Pressure: 3.7E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(c1ccccc1)Cc2ccc(O)cc2
(2)InChI: InChI=1/C15H14O3/c16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12/h1-9,14,16H,10H2,(H,17,18)
(3)InChIKey: GRCCNKUXWQWOKS-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C15H14O3/c16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12/h1-9,14,16H,10H2,(H,17,18)
(5)Std. InChIKey: GRCCNKUXWQWOKS-UHFFFAOYSA-N

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Specification