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| CAS No.: | 35888-99-4 |
|---|---|
| Name: | 2(4-Biphenyl)propionic acid |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C15H14O2 |
| Molecular Weight: | 226.275 |
| Synonyms: | Hydrocinnamicacid, p-phenyl- (6CI,7CI);3-(Biphenyl-4-yl)propanoic acid;3-(para-Biphenyl)propionic acid;4-Biphenylpropionic acid;para-Phenylhydrocinnamicacid;[1,1'-Biphenyl]-4-propanoicacid; |
| Density: | 1.138 g/cm3 |
| Melting Point: | 149-152℃ |
| Boiling Point: | 400.4 °C at 760 mmHg |
| Flash Point: | 297.2 °C |
| PSA: | 37.30000 |
| LogP: | 3.37080 |
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- Total:14 Page 1 of 1 1
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Specification
The 2(4-Biphenyl)propionic acid, with the CAS registry number 35888-99-4, is also known as 3-(Biphenyl-4-yl)propanoic acid. This chemical's molecular formula is C15H14O2 and molecular weight is 226.27. What's more, its IUPAC name is 3-(4-phenylphenyl)propanoic acid.
Physical properties of 2(4-Biphenyl)propionic acid are: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 0.89; (5)ACD/BCF (pH 5.5): 39.54; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 267.45; (8)ACD/KOC (pH 7.4): 4.21; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 66.59 cm3; (15)Molar Volume: 198.6 cm3; (16)Surface Tension: 46.5 dyne/cm; (17)Density: 1.138 g/cm3; (18)Flash Point: 297.2 °C; (19)Enthalpy of Vaporization: 68.68 kJ/mol; (20)Boiling Point: 400.4 °C at 760 mmHg; (21)Vapour Pressure: 3.94E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CCC(=O)O
(2)InChI: InChI=1S/C15H14O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,16,17)
(3)InChIKey: MVFHRQWYCXYYMU-UHFFFAOYSA-N