7-Benzofurancarboxylicacid supplier

Name
benzofuran-7-carboxylic acid
EINECS
CAS No. 90484-22-3
Article Data7
CAS DataBase
Density 1.364 g/cm³
Solubility
Melting Point
Formula C₉H₆O₃
Boiling Point 325.559 °C at 760 mmHg
Molecular Weight 162.14214
Flash Point 150.693 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms benzofuran-7-carboxylic acid;7-Benzofurancarboxylic acid;1-benzofuran-7-carboxylic acid;Benzo[b]furan-7-carboxylic acid, 97%
PSA 50.44000
LogP 2.13100

7-Benzofurancarboxylicacid Specification

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

Product Name

benzofuran-7-carboxylic acid

7-Benzofurancarboxylicacid Specification

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