Products Categories
CAS No.: | 67451-16-5 |
---|---|
Name: | 4-ACETOXYPHENYL METHYL SULFONE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C9H10O4S |
Molecular Weight: | 214.242 |
Synonyms: | Phenol, 4-(methylsulfonyl)-, acetate;Phenol, p-(methylsulfonyl)-, acetate (6CI); |
Density: | 1.3±0.1 g/cm3 |
Boiling Point: | 372.3±34.0 °C at 760 mmHg |
Flash Point: | 178.9±25.7 °C |
PSA: | 68.82000 |
LogP: | 2.09620 |
What can I do for you?
Get Best Price
4-(Methylsulfonyl)phenyl acetate is an organic compound with the formula C9H10O4S, and its systematic name is the same with the product name. With the CAS registry number 67451-16-5, it is also named as Phenol, 4-(methylsulfonyl)-, acetate. In addition, the molecular weight is 214.24.
Physical properties of 4-(Methylsulfonyl)phenyl acetate are: (1)ACD/LogP: 0.44±0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (4)ACD/LogD (pH 7.4): 0.44; (5)ACD/BCF (pH 5.5): 1.27; (6)ACD/BCF (pH 7.4): 1.27; (7)ACD/KOC (pH 5.5): 41.34; (8)ACD/KOC (pH 7.4): 41.34; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 68.82 Å2; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 51.3±0.4 cm3; (15)Molar Volume: 168.8±3.0 cm3; (16)Polarizability: 20.3±0.5×10-24cm3; (17)Surface Tension: 41.0±3.0 dyne/cm; (18)Density: 1.3±0.1 g/cm3; (19)Flash Point: 178.9±25.7 °C; (20)Enthalpy of Vaporization: 61.9±3.0 kJ/mol; (21)Boiling Point: 372.3±34.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.8 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)Oc1ccc(cc1)S(=O)(=O)C
(2)Std. InChI: InChI=1S/C9H10O4S/c1-7(10)13-8-3-5-9(6-4-8)14(2,11)12/h3-6H,1-2H3
(3)Std. InChIKey: VEGHHCSTOWIVFF-UHFFFAOYSA-N