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31457-07-5

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Basic Information
CAS No.: 31457-07-5
Name: 2-METHYLBENZOFURAN-7-CARBOXYLIC ACID
Article Data: 3
Molecular Structure:
Molecular Structure of 31457-07-5 (2-METHYLBENZOFURAN-7-CARBOXYLIC ACID)
Formula: C10H8O3
Molecular Weight: 176.172
Synonyms: 2-Methylbenzofuran-7-carboxylic acid;NSC 118171;2-Methyl-1-benzofuran-7-carboxylic acid;
Density: 1.303 g/cm3
Boiling Point: 342.7 °C at 760 mmHg
Flash Point: 161.1 °C
PSA: 50.44000
LogP: 2.43940
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Specification

The 7-Benzofurancarboxylicacid, 2-methyl-, with the CAS registry number 31457-07-5, is also known as 2-Methylbenzofuran-7-carboxylic acid. This chemical's molecular formula is C10H8O3 and molecular weight is 176.17. What's more, its systematic name is 2-Methyl-1-benzofuran-7-carboxylic acid.

Physical properties of 7-Benzofurancarboxylicacid, 2-methyl- are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.8; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.91; (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: 19.08×10-24 cm3; (16)Surface Tension: 53.1 dyne/cm; (17)Density: 1.303 g/cm3; (18)Flash Point: 161.1 °C; (19)Enthalpy of Vaporization: 61.9 kJ/mol; (20)Boiling Point: 342.7 °C at 760 mmHg; (21)Vapour Pressure: 2.84E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2cccc1c2oc(c1)C
(2)InChI: InChI=1S/C10H8O3/c1-6-5-7-3-2-4-8(10(11)12)9(7)13-6/h2-5H,1H3,(H,11,12)
(3)InChIKey: CEBDXRXVGUQZJK-UHFFFAOYSA-N