Benzoic acid,2-(2-furanyl)- supplier

Name
2-(2-FURYL)BENZOIC ACID
EINECS
CAS No. 331942-47-3
Article Data3
CAS DataBase
Density 1.254 g/cm³
Solubility
Melting Point 87 °C
Formula C₁₁H₈O₃
Boiling Point 313.5 °C at 760 mmHg
Molecular Weight 188.183
Flash Point 143.4 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 2-(2-Furyl)benzoic acid;2-(Fur-2-yl)benzoic acid;2-Fur-2-ylbenzoic acid;2-Furan-2-yl-benzoic acid;
PSA 50.44000
LogP 2.64480

Benzoic acid,2-(2-furanyl)- Specification

The Benzoic acid,2-(2-furanyl)-, with the CAS registry number 331942-47-3, is also known as 2-(2-Furyl)benzoic acid. This chemical's molecular formula is C₁₁H₈O₃ and molecular weight is 188.18. What's more, its systematic name is 2-furan-2-ylbenzoic acid.

Physical properties of Benzoic acid,2-(2-furanyl)- are: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.43; (4)ACD/LogD (pH 7.4): -0.85; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.49; (8)ACD/KOC (pH 7.4): 1; (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)Polarizability: 19.85×10^-24cm³; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.254 g/cm³; (19)Flash Point: 143.4 °C; (20)Enthalpy of Vaporization: 58.55 kJ/mol; (21)Boiling Point: 313.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00021 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccccc1c2occc2
(2)InChI: InChI=1S/C11H8O3/c12-11(13)9-5-2-1-4-8(9)10-6-3-7-14-10/h1-7H,(H,12,13)
(3)InChIKey: QRUHYAWZHFTNEA-UHFFFAOYSA-N

Product Name

2-(2-FURYL)BENZOIC ACID

Benzoic acid,2-(2-furanyl)- Specification

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