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| CAS No.: | 854515-52-9 |
|---|---|
| Name: | 6-Hydroxy-2-methylbenzofuran-3-carboxylic acid |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C10H8O4 |
| Molecular Weight: | 192.171 |
| Synonyms: | 3-Benzofurancarboxylic acid, 6-hydroxy-2-methyl-; |
| Density: | 1.439 g/cm3 |
| Boiling Point: | 235.838 °C at 760 mmHg |
| Flash Point: | 96.431 °C |
| PSA: | 70.67000 |
| LogP: | 2.14500 |
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- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
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- Total:18 Page 1 of 1 1
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Specification
The 6-Hydroxy-2-methylbenzofuran-3-carboxylic acid, with the CAS registry number 854515-52-9, is also known as 3-Benzofurancarboxylic acid, 6-hydroxy-2-methyl-. This chemical's molecular formula is C10H8O4 and molecular weight is 192.17. What's more, its systematic name is 6-Hydroxy-2-methyl-1-benzofuran-3-carboxylic acid.
Physical properties of 6-Hydroxy-2-methylbenzofuran-3-carboxylic acid are: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 70.67 Å2; (11)Index of Refraction: 1.672; (12)Molar Refractivity: 50.032 cm3; (13)Molar Volume: 133.578 cm3; (14)Polarizability: 19.834×10-24 cm3; (15)Surface Tension: 65.403 dyne/cm; (16)Density: 1.439 g/cm3; (17)Flash Point: 96.431 °C; (18)Enthalpy of Vaporization: 49.947 kJ/mol; (19)Boiling Point: 235.838 °C at 760 mmHg; (20)Vapour Pressure: 0.027 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1c2ccc(O)cc2oc1C
(2)InChI: InChI=1S/C10H8O4/c1-5-9(10(12)13)7-3-2-6(11)4-8(7)14-5/h2-4,11H,1H3,(H,12,13)
(3)InChIKey: JVELFLPOFDICQP-UHFFFAOYSA-N