5-Benzofurancarboxylicacid, 3-methyl- supplier

Name
3-METHYLBENZOFURAN-5-CARBOXYLIC ACID
EINECS
CAS No. 501892-99-5
Article Data5
CAS DataBase
Density 1.303 g/cm³
Solubility
Melting Point
Formula C₁₀H₈O₃
Boiling Point 346 °C at 760 mmHg
Molecular Weight 176.17
Flash Point 163 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Methyl-1-benzofuran-5-carboxylic acid;3-Methylbenzofuran-5-carboxylic acid;
PSA 50.44000
LogP 2.43940

5-Benzofurancarboxylicacid, 3-methyl- Specification

The 5-Benzofurancarboxylicacid, 3-methyl- with CAS registry number of 3781-93-9 is also called 3-methyl-1-benzofuran-5-carboxylic acid. In addition, the formula is C₁₁H₈O₃and the molecular weight is 176.17.

Physical properties about this chemical are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 3.46; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.7; (8)ACD/KOC (pH 7.4): 1.02; (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: 1.631; (14)Molar Refractivity: 48.15 cm³; (15)Molar Volume: 135.1 cm³; (16)Polarizability: 19.08 ×10^-24cm³; (17)Surface Tension: 53.1 dyne/cm; (18)Density: 1.303 g/cm³; (19)Flash Point: 163 °C; (20)Enthalpy of Vaporization: 62.28 kJ/mol; (21)Boiling Point: 346 °C at 760 mmHg; (22)Vapour Pressure: 2.25E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cc2c(cc1)occ2C
(2)InChI: InChI=1/C10H8O3/c1-6-5-13-9-3-2-7(10(11)12)4-8(6)9/h2-5H,1H3,(H,11,12)
(3)InChIKey: ICGCSXAZTJXZAG-UHFFFAOYAJ

Product Name

3-METHYLBENZOFURAN-5-CARBOXYLIC ACID

5-Benzofurancarboxylicacid, 3-methyl- Specification

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