3(2H)-Benzofuranone, 4-methoxy- supplier

Name
4-Methoxy-3(2H)-benzofuranone
EINECS
CAS No. 7169-35-9
Article Data2
CAS DataBase
Density 1.262 g/cm³
Solubility
Melting Point 147-148 °C
Formula C₉H₈O₃
Boiling Point 314.9 °C at 760 mmHg
Molecular Weight 164.161
Flash Point 135.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Methoxybenzofuran-3-one;
PSA 35.53000
LogP 1.27030

3(2H)-Benzofuranone, 4-methoxy- Specification

The 3(2H)-Benzofuranone, 4-methoxy- with CAS registry number of 7169-35-9 is also named 6-Fluoro-3-benzofuranone or 4-Methoxy-3(2H)-benzofuranone. The systematic name is 4-Methoxy-1-benzofuran-3(2H)-one. In addition, the formula is C₉H₈O₃ and the molecular weight is 164.16.

Physical properties about 3(2H)-Benzofuranone, 4-methoxy- are: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.6; (4)ACD/LogD (pH 7.4): 1.6; (5)ACD/BCF (pH 5.5): 9.69; (6)ACD/BCF (pH 7.4): 9.69; (7)ACD/KOC (pH 5.5): 176.83; (8)ACD/KOC (pH 7.4): 176.83; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.53Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 42.22 cm³; (15)Molar Volume: 130 cm³; (16)Polarizability: 16.74×10^-24cm³; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.262 g/cm³; (19)Flash Point: 135.2 °C; (20)Enthalpy of Vaporization: 55.61 kJ/mol; (21)Boiling Point: 314.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000452 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C1c2c(OC1)cccc2OC
2. InChI: InChI=1/C9H8O3/c1-11-7-3-2-4-8-9(7)6(10)5-12-8/h2-4H,5H2,1H3
3. InChIKey: IVSCFNOAUOCHJV-UHFFFAOYAV
4. Std. InChI: InChI=1S/C9H8O3/c1-11-7-3-2-4-8-9(7)6(10)5-12-8/h2-4H,5H2,1H3
5. Std. InChIKey: IVSCFNOAUOCHJV-UHFFFAOYSA-N

Product Name

4-Methoxy-3(2H)-benzofuranone

3(2H)-Benzofuranone, 4-methoxy- Specification

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