5-Benzofurancarboxylicacid,2,3-dimethyl- supplier

Name
2,3-DIMETHYLBENZOFURAN-5-CARBOXYLIC ACID
EINECS
CAS No. 3781-93-9
Density 1.256 g/cm³
Solubility
Melting Point 240-241 °C
Formula C₁₁H₁₀O₃
Boiling Point 368.7 °C at 760 mmHg
Molecular Weight 190.199
Flash Point 176.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,3-Dimethyl-1-benzofuran-5-carboxylic acid;
PSA 50.44000
LogP 2.74780

5-Benzofurancarboxylicacid,2,3-dimethyl- Specification

The 5-Benzofurancarboxylicacid,2,3-dimethyl- with CAS registry number of 3781-93-9 belongs to the class of Pharmaceutical Intermediatesis. The IUPAC name is 2,3-Dimethyl-1-benzofuran-5-carboxylic acid. In addition, the formula is C₁₁H₁₀O₃and the molecular weight is 190.2.

Physical properties about this chemical are: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 0.39; (5)ACD/BCF (pH 5.5): 8.36; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 66.6; (8)ACD/KOC (pH 7.4): 1.87; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.44 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 52.97 cm³; (15)Molar Volume: 151.4 cm³; (16)Polarizability: 21 ×10^-24cm³; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.256 g/cm³; (19)Flash Point: 176.8 °C; (20)Enthalpy of Vaporization: 64.93 kJ/mol ; (21)Boiling Point: 368.7 °C at 760 mmHg; (22)Vapour Pressure: 4.36E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cc2c(cc1)oc(C)c2C
(2)InChI: InChI=1/C11H10O3/c1-6-7(2)14-10-4-3-8(11(12)13)5-9(6)10/h3-5H,1-2H3,(H,12,13)
(3)InChIKey: IEVYFTRORXVVLS-UHFFFAOYAW

Product Name

2,3-DIMETHYLBENZOFURAN-5-CARBOXYLIC ACID

5-Benzofurancarboxylicacid,2,3-dimethyl- Specification

Related Products

Hot Products