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Basic Information
CAS No.: 10242-09-8
Name: 5-METHYL-BENZOFURAN-2-CARBOXYLIC ACID
Article Data: 15
Molecular Structure:
Molecular Structure of 10242-09-8 (5-METHYL-BENZOFURAN-2-CARBOXYLIC ACID)
Formula: C10H8O3
Molecular Weight: 176.172
Synonyms: 5-Methylbenzo[b]furan-2-carboxylic acid;5-Methyl-1-benzofuran-2-carboxylic acid;
Density: 1.303 g/cm3
Melting Point: 238-240℃
Boiling Point: 332.1 °C at 760 mmHg
Flash Point: 154.7 °C
PSA: 50.44000
LogP: 2.43940
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Specification

The 5-Methyl-2-benzofurancarboxylicacid, with the CAS registry number 10242-09-8, is also known as 5-Methylbenzo[b]furan-2-carboxylic acid. This chemical's molecular formula is C10H8O3 and molecular weight is 176.17. What's more, its systematic name is 5-methyl-1-benzofuran-2-carboxylic acid.

Physical properties of 5-Methyl-2-benzofurancarboxylicacid are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.58; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.51; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 39.44 Å2; (12)Index of Refraction: 1.631; (13)Molar Refractivity: 48.15 cm3; (14)Molar Volume: 135.1 cm3; (15)Polarizability: 19.08×10-24cm3; (16)Surface Tension: 53.1 dyne/cm; (17)Density: 1.303 g/cm3; (18)Flash Point: 154.7 °C; (19)Enthalpy of Vaporization: 60.68 kJ/mol; (20)Boiling Point: 332.1 °C at 760 mmHg; (21)Vapour Pressure: 5.92E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2oc1ccc(cc1c2)C
(2)InChI: InChI=1S/C10H8O3/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-5H,1H3,(H,11,12)
(3)InChIKey: RNTYTQILDXWFLQ-UHFFFAOYSA-N