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| CAS No.: | 301836-57-7 |
|---|---|
| Name: | 2,3-dihydrobenzofuran-6-carboxylic acid |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C9H8O3 |
| Molecular Weight: | 164.15802 |
| Synonyms: | 2,3-Dihydrobenzofuran-6-carboxylicacid;2,3-dihydro-1-benzofuran-6-carboxylic acid;6-benzofurancarboxylic acid, 2,3-dihydro-; |
| Density: | 1.344 g/cm3 |
| Boiling Point: | 322.8 °C at 760 mmHg |
| Flash Point: | 136 °C |
| PSA: | 46.53000 |
| LogP: | 1.31970 |
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Specification
The 6-Benzofurancarboxylicacid, 2,3-dihydro-, with the CAS registry number 301836-57-7, has the systematic name of 2,3-dihydro-1-benzofuran-6-carboxylic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H8O3.
The characteristics of 6-Benzofurancarboxylicacid, 2,3-dihydro- are as followings: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/BCF (pH 5.5): 1.11; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 16.33; (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: 46.53 Å2; (12)Index of Refraction: 1.61; (13)Molar Refractivity: 42.35 cm3; (14)Molar Volume: 122 cm3; (15)Polarizability: 16.78×10-24cm3; (16)Surface Tension: 60.2 dyne/cm; (17)Density: 1.344 g/cm3; (18)Flash Point: 136 °C; (19)Enthalpy of Vaporization: 59.61 kJ/mol; (20)Boiling Point: 322.8 °C at 760 mmHg; (21)Vapour Pressure: 0.000112 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(=O)c1ccc2CCOc2c1
(2)InChI: InChI=1/C9H8O3/c10-9(11)7-2-1-6-3-4-12-8(6)5-7/h1-2,5H,3-4H2,(H,10,11)
(3)InChIKey: GOWYEADOSDCIEF-UHFFFAOYAE