CAS No.51061-71-3,4-(3'-PYRIDYL)PHENYLACETIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51061-71-3
Name:	4-(3'-PYRIDYL)PHENYLACETIC ACID

Formula:	C₁₃H₁₁NO₂
Molecular Weight:	213.23
Synonyms:	4-(3-Pyridinyl)phenylaceticacid;4-(3'-Pyridyl)phenylacetic acid;(4-Pyridin-3-yl-phenyl)-acetic acid;
Density:	1.215 g/cm³
Boiling Point:	413.9 °C at 760 mmHg
Flash Point:	204.1 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	50.19000
LogP:	2.37570

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Specification

The CAS register number of Benzeneacetic acid,4-(3-pyridinyl)- is 51061-71-3. It also can be called as 4-(3'-Pyridyl)phenylacetic acid and the systematic name about this chemical is (4-pyridin-3-ylphenyl)acetic acid. The molecular formula about this chemical is C₁₃H₁₁NO₂ and the molecular weight is 213.23.

Physical properties about Benzeneacetic acid,4-(3-pyridinyl)- are: (1)ACD/LogP: 1.95; (2)ACD/LogD (pH 5.5): 0.44; (3)ACD/LogD (pH 7.4): -1.19; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.45; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 39.19 Å²; (12)Index of Refraction: 1.6; (13)Molar Refractivity: 60.04 cm³; (14)Molar Volume: 175.3 cm³; (15)Polarizability: 23.8x10^-24cm³; (16)Surface Tension: 52.9 dyne/cm; (17)Density: 1.215 g/cm³; (18)Flash Point: 204.1 °C; (19)Enthalpy of Vaporization: 70.3 kJ/mol; (20)Boiling Point: 413.9 °C at 760 mmHg; (21)Vapour Pressure: 1.36E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc2ccc(c1cccnc1)cc2
(2)InChI: InChI=1/C13H11NO2/c15-13(16)8-10-3-5-11(6-4-10)12-2-1-7-14-9-12/h1-7,9H,8H2,(H,15,16)
(3)InChIKey: ROODCPVYMCCLGD-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C13H11NO2/c15-13(16)8-10-3-5-11(6-4-10)12-2-1-7-14-9-12/h1-7,9H,8H2,(H,15,16)
(5)Std. InChIKey: ROODCPVYMCCLGD-UHFFFAOYSA-N