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2-Furanpropanoic acid,5-phenyl-

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Name

2-Furanpropanoic acid,5-phenyl-

EINECS
CAS No. 3465-61-0 Density 1.191 g/cm3
Solubility Melting Point
Formula C13H12O3 Boiling Point 366.8 °C at 760 mmHg
Molecular Weight 216.23 Flash Point 175.7 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 3465-61-0 (2-Furanpropanoic acid,5-phenyl-) Hazard Symbols
Synonyms

2-Furanpropionicacid, 5-phenyl- (7CI,8CI);3-(5-Phenyl-2-furyl)propanoic acid;3-(5-Phenylfuran-2-yl)propanoic acid;Propanoic acid, 3-(5-phenyl-2-furyl)-;

 

2-Furanpropanoic acid,5-phenyl- Specification

The 2-Furanpropanoic acid,5-phenyl-, with the CAS registry number 3465-61-0, is also known as 3-(5-Phenyl-2-furyl)propanoic acid. This chemical's molecular formula is C13H12O3 and molecular weight is 216.23. What's more, its systematic name is 3-(5-phenylfuran-2-yl)propanoic acid. 

Physical properties of 2-Furanpropanoic acid,5-phenyl- are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): -0.05; (5)ACD/BCF (pH 5.5): 7.15; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 72.3; (8)ACD/KOC (pH 7.4): 1.14; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 39.44 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 58.89 cm3; (15)Molar Volume: 181.4 cm3; (16)Surface Tension: 46 dyne/cm; (17)Density: 1.191 g/cm3; (18)Flash Point: 175.7 °C; (19)Enthalpy of Vaporization: 64.71 kJ/mol; (20)Boiling Point: 366.8 °C at 760 mmHg; (21)Vapour Pressure: 5E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCc1oc(cc1)c2ccccc2
(2)InChI: InChI=1S/C13H12O3/c14-13(15)9-7-11-6-8-12(16-11)10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H,14,15)
(3)InChIKey: JKBUDDSGMWGQDN-UHFFFAOYSA-N

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