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CAS No.: | 90484-22-3 |
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Name: | benzofuran-7-carboxylic acid |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C9H6O3 |
Molecular Weight: | 162.14214 |
Synonyms: | benzofuran-7-carboxylic acid;7-Benzofurancarboxylic acid;1-benzofuran-7-carboxylic acid;Benzo[b]furan-7-carboxylic acid, 97% |
Density: | 1.364 g/cm3 |
Boiling Point: | 325.559 °C at 760 mmHg |
Flash Point: | 150.693 °C |
PSA: | 50.44000 |
LogP: | 2.13100 |
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The 7-Benzofurancarboxylicacid, with CAS registry number 90484-22-3, has the systematic name of 1-benzofuran-7-carboxylic acid. Besides this, it is also called benzofuran-7-carboxylic acid. And the chemical formula of this chemical is C9H6O3.
Physical properties of 7-Benzofurancarboxylicacid: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4; (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: 50.44 Å2; (12)Index of Refraction: 1.649; (13)Molar Refractivity: 43.325 cm3; (14)Molar Volume: 118.873 cm3; (15)Polarizability: 17.175×10-24cm3; (16)Surface Tension: 57.41 dyne/cm; (17)Enthalpy of Vaporization: 59.927 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cccc2ccoc12
(2)InChI: InChI=1/C9H6O3/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5H,(H,10,11)
(3)InChIKey: QMHILIQFOBNARN-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H6O3/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5H,(H,10,11)
(5)Std. InChIKey: QMHILIQFOBNARN-UHFFFAOYSA-N