Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-(2-Furyl)benzoic acid |
EINECS | N/A |
CAS No. | 35461-98-4 | Density | 1.254 g/cm3 |
PSA | 50.44000 | LogP | 2.64480 |
Solubility | N/A | Melting Point |
231 °C |
Formula | C11H8O3 | Boiling Point | 345 °C at 760 mmHg |
Molecular Weight | 188.183 | Flash Point | 162.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 22-36 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Furyl-4-benzoicacid;Benzoic acid,4-(2-furanyl)-;4-(Furan-2-yl)benzoic acid;p-2-Furylbenzoicacid; |
Article Data | 17 |
The 4-(2-Furyl)benzoic acid, with the CAS registry number 35461-98-4, is also known as 2-Furyl-4-benzoicacid. This chemical's molecular formula is C11H8O3 and molecular weight is 188.18. What's more, its systematic name is 4-furan-2-ylbenzoic acid.
Physical properties of 4-(2-Furyl)benzoic acid are: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 4.93; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 46.17; (8)ACD/KOC (pH 7.4): 1.27; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.44 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 50.07 cm3; (15)Molar Volume: 150 cm3; (16)Surface Tension: 48.8 dyne/cm; (17)Density: 1.254 g/cm3; (18)Flash Point: 162.5 °C; (19)Enthalpy of Vaporization: 62.16 kJ/mol; (20)Boiling Point: 345 °C at 760 mmHg; (21)Vapour Pressure: 2.41E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2ccc(c1occc1)cc2
(2)InChI: InChI=1S/C11H8O3/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H,(H,12,13)
(3)InChIKey: FOJYVBSPOBUCMV-UHFFFAOYSA-N