Products Categories
CAS No.: | 875-99-0 |
---|---|
Name: | 3-(METHYLTHIO) BENZOIC ACID |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C10H14O |
Molecular Weight: | 150.221 |
Synonyms: | Tricyclo[2.2.1.02,6]heptanone,4,5,5-trimethyl- (8CI,9CI);Cyclocamphanone;Isocyclenone;Pericyclocamphor;Tricyclanone;b-Pericyclocamphanone;b-peri-Cyclocamphanone; |
Density: | 1.105 g/cm3 |
Melting Point: | 126-130 °C(lit.) |
Boiling Point: | 207.5 °C at 760 mmHg |
Flash Point: | 72.2 °C |
Hazard Symbols: | Xi |
PSA: | 62.60000 |
LogP: | 2.10670 |
What can I do for you?
Get Best Price
This chemical is called Tricyclo[2.2.1.02,6]heptan-3-one,4,5,5-trimethyl-, and its systematic name is 4,5,5-trimethyltricyclo[2.2.1.02,6]heptan-3-one. With the molecular formula of C10H14O, its molecular weight is 150.22. The CAS registry number of this chemical is 875-99-0.
Other characteristics of the Tricyclo[2.2.1.02,6]heptan-3-one,4,5,5-trimethyl- can be summarised as followings: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.42; (5)ACD/BCF (pH 5.5): 7.04; (6)ACD/BCF (pH 7.4): 7.04; (7)ACD/KOC (pH 5.5): 140.66; (8)ACD/KOC (pH 7.4): 140.66; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 42.44 cm3; (15)Molar Volume: 135.8 cm3; (16)Polarizability: 16.82×10-24cm3; (17)Surface Tension: 36.3 dyne/cm; (18)Density: 1.105 g/cm3; (19)Flash Point: 72.2 °C; (20)Enthalpy of Vaporization: 44.37 kJ/mol; (21)Boiling Point: 207.5 °C at 760 mmHg; (22)Vapour Pressure: 0.225 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1C2C3CC1(C)C(C)(C)C23
2.InChI: InChI=1/C10H14O/c1-9(2)7-5-4-10(9,3)8(11)6(5)7/h5-7H,4H2,1-3H3
3.InChIKey: OSGFZBRRGSITSR-UHFFFAOYAQ