3-Benzofuranacetic acid, 6-hydroxy- supplier

Name
2-(6-HYDROXY-1-BENZOFURAN-3-YL) ACETIC ACID, 97
EINECS
CAS No. 69716-04-7
Article Data16
CAS DataBase
Density 1.453 g/cm³
Solubility
Melting Point 139-140℃
Formula C₁₀H₈O₄
Boiling Point 251.5 °C at 760 mmHg
Molecular Weight 192.171
Flash Point 105.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(6-hydroxy-1-benzofuran-3-yl)acetic acid
PSA 70.67000
LogP 1.76550

3-Benzofuranacetic acid, 6-hydroxy- Specification

This chemical is called 3-Benzofuranacetic acid, 6-hydroxy-, and its systematic name is (6-hydroxy-1-benzofuran-3-yl)acetic acid. With the molecular formula of C₁₀H₈O₄, its molecular weight is 192.16812. The CAS registry number of this chemical is 69716-04-7.

Other characteristics of the 3-Benzofuranacetic acid, 6-hydroxy- can be summarised as followings: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.19; (4)ACD/LogD (pH 7.4): -1.95; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.24; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 48.67 Å²; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 49.39 cm³; (15)Molar Volume: 132.2 cm³; (16)Polarizability: 19.57×10^-24cm³; (17)Surface Tension: 67.1 dyne/cm; (18)Density: 1.453 g/cm³; (19)Flash Point: 105.9 °C; (20)Enthalpy of Vaporization: 51.65 kJ/mol; (21)Boiling Point: 251.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0107 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)Cc1c2ccc(O)cc2oc1
2.InChI: InChI=1/C10H8O4/c11-7-1-2-8-6(3-10(12)13)5-14-9(8)4-7/h1-2,4-5,11H,3H2,(H,12,13)
3.InChIKey: ZEMXZWJZCWCPBM-UHFFFAOYAW

Product Name

2-(6-HYDROXY-1-BENZOFURAN-3-YL) ACETIC ACID, 97

3-Benzofuranacetic acid, 6-hydroxy- Specification

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