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CAS No.: | 314725-17-2 |
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Name: | 6-Benzofurancarboxylic acid, 4-hydroxy-2-methyl-, methyl ester |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C11H10O4 |
Molecular Weight: | 206.198 |
Synonyms: | 6-benzofurancarboxylic acid, 4-hydroxy-2-methyl-, methyl ester;4-Hydroxy-2-methyl-6-benzofurancarboxylicacidmethylester; |
Density: | 1.297 g/cm3 |
Boiling Point: | 229.526 °C at 760 mmHg |
Flash Point: | 92.615 °C |
PSA: | 59.67000 |
LogP: | 2.23340 |
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The CAS register number of Methyl 4-hydroxy-2-methyl-1-benzofuran-6-carboxylate is 314725-17-2. It also can be called as 6-benzofurancarboxylic acid, 4-hydroxy-2-methyl-, methyl ester and the systematic name about this chemical is methyl 4-hydroxy-2-methyl-benzofuran-6-carboxylate. The molecular formula about this chemical is C11H10O4 and the molecular weight is 206.196.
Physical properties about Methyl 4-hydroxy-2-methyl-1-benzofuran-6-carboxylate are: (1)ACD/LogP: 2.94; (2)ACD/LogD (pH 5.5): 2.935; (3)ACD/LogD (pH 7.4): 2.898; (4)ACD/BCF (pH 5.5): 100.067; (5)ACD/BCF (pH 7.4): 91.882; (6)ACD/KOC (pH 5.5): 940.326; (7)ACD/KOC (pH 7.4): 863.416; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 59.67Å2; (12)Index of Refraction: 1.607; (13)Molar Refractivity: 54.875 cm3; (14)Molar Volume: 158.941 cm3; (15)Polarizability: 21.754x10-24cm3; (16)Surface Tension: 49.973 dyne/cm; (17)Flash Point: 92.615 °C; (18)Enthalpy of Vaporization: 48.508 kJ/mol; (19)Boiling Point: 229.526 °C at 760 mmHg; (20)Vapour Pressure: 0.046 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc2c(cc(cc2o1)C(=O)OC)O
(2)InChI: InChI=1/C11H10O4/c1-6-3-8-9(12)4-7(11(13)14-2)5-10(8)15-6/h3-5,12H,1-2H3
(3)InChIKey: ITSXUNBDKRJPHJ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C11H10O4/c1-6-3-8-9(12)4-7(11(13)14-2)5-10(8)15-6/h3-5,12H,1-2H3
(5)Std. InChIKey: ITSXUNBDKRJPHJ-UHFFFAOYSA-N