Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1(3H)-Isobenzofuranone, 3-(3,4-dimethoxyphenyl)- |
EINECS | N/A |
CAS No. | 37618-00-1 | Density | 1.238 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H14O4 | Boiling Point | 422.6 °C at 760 mmHg |
Molecular Weight | 270.28 | Flash Point | 188.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NSC50152; |
Article Data | 6 |
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