1(3H)-Isobenzofuranone, 3-(3,4-dimethoxyphenyl)- supplier

Name
3-(3,4-dimethoxyphenyl)-2-benzofuran-1(3H)-one
EINECS
CAS No. 37618-00-1
Article Data6
CAS DataBase
Density 1.238 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₄O₄
Boiling Point 422.6 °C at 760 mmHg
Molecular Weight 270.28
Flash Point 188.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC50152;
PSA
LogP

1(3H)-Isobenzofuranone, 3-(3,4-dimethoxyphenyl)- Specification

The 1(3H)-Isobenzofuranone, 3-(3,4-dimethoxyphenyl)- has the CAS registry number 37618-00-1. This chemical's molecular formula is C₁₆H₁₄O₄ and molecular weight is 270.28. What's more, its systematic name is 3-(3,4-dimethoxyphenyl)-2-benzofuran-1(3H)-one.

Physical properties of 1(3H)-Isobenzofuranone, 3-(3,4-dimethoxyphenyl)- are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 44.76 Å²; (7)Index of Refraction: 1.587; (8)Molar Refractivity: 73.35 cm³; (9)Molar Volume: 218.2 cm³; (10)Polarizability: 29.07×10^-24cm³; (11)Surface Tension: 45.5 dyne/cm; (12)Density: 1.238 g/cm³; (13)Flash Point: 188.6 °C; (14)Enthalpy of Vaporization: 67.68 kJ/mol; (15)Boiling Point: 422.6 °C at 760 mmHg; (16)Vapour Pressure: 2.38E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC(c2ccccc12)c3ccc(OC)c(OC)c3
(2)InChI: InChI=1S/C16H14O4/c1-18-13-8-7-10(9-14(13)19-2)15-11-5-3-4-6-12(11)16(17)20-15/h3-9,15H,1-2H3
(3)InChIKey: NSXBROVJPCGNBU-UHFFFAOYSA-N

Product Name

3-(3,4-dimethoxyphenyl)-2-benzofuran-1(3H)-one

1(3H)-Isobenzofuranone, 3-(3,4-dimethoxyphenyl)- Specification

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