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CAS No.: | 13026-23-8 |
---|---|
Name: | 4-PHENYLCINNAMIC ACID |
Article Data: | 39 |
Molecular Structure: | |
Formula: | C15H12O2 |
Molecular Weight: | 224.259 |
Synonyms: | Cinnamic acid, p-phenyl-(6CI,7CI,8CI);3-(1,1'-Biphenyl-4-yl)acrylic acid;3-Biphenyl-4-ylacrylic acid;4-Phenylcinnamic acid;[1,1'-Biphenyl]-4-acrylic acid;p-Phenylcinnamic acid; |
EINECS: | 235-888-0 |
Density: | 1.178 g/cm3 |
Melting Point: | 224-225 °C |
Boiling Point: | 412.9 °C at 760 mmHg |
Flash Point: | 308 °C |
Solubility: | Slightly soluble in water. |
Hazard Symbols: | Xi |
Risk Codes: | 22-51/53 |
Safety: | 22-24/25 |
PSA: | 37.30000 |
LogP: | 3.45140 |
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The CAS register number of 4-Phenylcinnamic acid is 13026-23-8. It also can be called as 3-Biphenyl-4-ylacrylic acid and the IUPAC name about this chemical is (Z)-3-(4-phenylphenyl)prop-2-enoic acid. The molecular formula about this chemical is C15H12O2 and molecular weight is 224.25. It belongs to the Aromatic Cinnamic Acids, Esters and Derivatives. When you are using it, please do not breathe dust and avoid contact with skin and eyes.
Physical properties about 4-Phenylcinnamic acid are: (1)ACD/LogP: 4.17; (2)ACD/LogD (pH 5.5): 2.54; (3)ACD/LogD (pH 7.4): 0.85; (4)ACD/BCF (pH 5.5): 20.23; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 102.9; (7)ACD/KOC (pH 7.4): 2.1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.3Å2; (12)Index of Refraction: 1.636; (13)Molar Refractivity: 68.29 cm3; (14)Molar Volume: 190.3 cm3; (15)Polarizability: 27.07x10-24cm3; (16)Surface Tension: 49.7 dyne/cm; (17)Enthalpy of Vaporization: 70.18 kJ/mol; (18)Boiling Point: 412.9 °C at 760 mmHg; (19)Vapour Pressure: 1.47E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C=C\c2ccc(c1ccccc1)cc2
(2)InChI: InChI=1/C15H12O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-11H,(H,16,17)/b11-8+
(3)InChIKey: DMJDEZUEYXVYNO-DHZHZOJOBZ
(4)Std. InChI: InChI=1S/C15H12O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-11H,(H,16,17)/b11-8+
(5)Std. InChIKey: DMJDEZUEYXVYNO-DHZHZOJOSA-N