2-Propenoic acid, 3-[1,1'-biphenyl]-3-yl- supplier

Name
(E)-3-phenylcinnaMic acid
EINECS
CAS No. 60521-26-8
Article Data5
CAS DataBase
Density 1.2±0.1 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₂O₂
Boiling Point 424.1±24.0 °C at 760 mmHg
Molecular Weight 224.259
Flash Point 317.7±13.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-phenylcinnamic acid;
PSA 37.30000
LogP 3.45140

2-Propenoic acid, 3-[1,1'-biphenyl]-3-yl- Specification

The CAS registry number of 2-Propenoic acid, 3-[1,1'-biphenyl]-3-yl- is 60521-26-8. This chemical's molecular formula is C₁₅H₁₂O₂ and molecular weight is 224.25. What's more, its systematic name is called 3-(3-Biphenylyl)acrylic acid.

Physical properties about 2-Propenoic acid, 3-[1,1'-biphenyl]-3-yl- are: (1)ACD/LogP: 4.17±0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.04; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 65.01; (6)ACD/BCF (pH 7.4): 1.04; (7)ACD/KOC (pH 5.5): 330.62; (8)ACD/KOC (pH 7.4): 5.27; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 68.3±0.3 cm³; (15)Molar Volume: 190.3±3.0 cm³; (16)Polarizability: 27.1±0.5×10^-24cm³; (17)Surface Tension: 49.7±3.0 dyne/cm; (18)Density: 1.2±0.1 g/cm³; (19)Flash Point: 317.7±13.8 °C; (20)Enthalpy of Vaporization: 71.5±3.0 kJ/mol; (21)Boiling Point: 424.1±24.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±1.1 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)c2cccc(c2)C=CC(=O)O
(2) InChI: InChI=1S/C15H12O2/c16-15(17)10-9-12-5-4-8-14(11-12)13-6-2-1-3-7-13/h1-11H,(H,16,17)
(3) InChIKey: QQQNPVHFBDPNNA-UHFFFAOYSA-N

Product Name

(E)-3-phenylcinnaMic acid

2-Propenoic acid, 3-[1,1'-biphenyl]-3-yl- Specification

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