5-Carbomethoxyphthalide supplier

Name
5-Carbomethoxyphthalide
EINECS
CAS No. 23405-32-5
Article Data10
CAS DataBase
Density 1.335 g/cm³
Solubility
Melting Point 151 °C
Formula C₁₀H₈O₄
Boiling Point 399.127 °C at 760 mmHg
Molecular Weight 192.171
Flash Point 213.877 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Phthalancarboxylicacid, 1-oxo-, methyl ester (8CI);5-Methoxycarbonylphthalide;
PSA 52.60000
LogP 1.14360

5-Carbomethoxyphthalide Specification

The 5-Carbomethoxyphthalide, with the CAS registry number 23405-32-5, is also known as 5-Methoxycarbonylphthalide. This chemical's molecular formula is C₁₀H₈O₄ and molecular weight is 192.17. What's more, its systematic name is Methyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate.

Physical properties about 5-Carbomethoxyphthalide: (1)ACD/LogP: 1.266; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 1.27; (5)ACD/BCF (pH 5.5): 5.40; (6)ACD/BCF (pH 7.4): 5.40; (7)ACD/KOC (pH 5.5): 116.39; (8)ACD/KOC (pH 7.4): 116.39; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 47.324 cm³; (15)Molar Volume: 143.958 cm³; (16)Polarizability: 18.761×10^-24cm³; (17)Surface Tension: 49.485 dyne/cm; (18)Density: 1.335 g/cm³; (19)Flash Point: 213.877 °C; (20)Enthalpy of Vaporization: 64.981 kJ/mol; (21)Boiling Point: 399.127 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: COC(=O)c1ccc2C(=O)OCc2c1
(2) InChI: InChI=1S/C10H8O4/c1-13-9(11)6-2-3-8-7(4-6)5-14-10(8)12/h2-4H,5H2,1H3
(3) InChIKey: DEVJBGUKNZVBFW-UHFFFAOYSA-N

Product Name

5-Carbomethoxyphthalide

5-Carbomethoxyphthalide Specification

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