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Name |
2-Propenoic acid, 3-[1,1'-biphenyl]-3-yl- |
EINECS | N/A |
CAS No. | 60521-26-8 | Density | 1.2±0.1 g/cm3 |
PSA | 37.30000 | LogP | 3.45140 |
Solubility | N/A | Melting Point |
N/A |
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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-phenylcinnamic acid; |
Article Data | 5 |
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