Products Categories
CAS No.: | 8050-35-9 |
---|---|
Name: | BENZOINTINCTURE |
Molecular Structure: | |
Formula: | C14H12O2 |
Molecular Weight: | 212.2439 |
Synonyms: | Benzointincture (8CI); |
Density: | 1.18 g/cm3 |
Boiling Point: | 342.999 °C at 760 mmHg |
Flash Point: | 154.813 °C |
The Ethanone,2-hydroxy-1,2-diphenyl-, mixt. with aloe, storax and Tolu Balsam, tincture, with the CAS registry number 8050-35-9, is also known as 1,2-Diphenyl-1-hydroxy-2-ethanone. This chemical's molecular formula is C14H12O2 and molecular weight is 212.2439. What's more, both its IUPAC name and systematic name are the same which is called 2-Hydroxy-1,2-diphenylethanone. This chemical's classification code is Protectant [topical].
Physical properties about Ethanone,2-hydroxy-1,2-diphenyl-, mixt. with aloe, storax and Tolu Balsam, tincture are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.159; (4)ACD/LogD (pH 7.4): 2.159; (5)ACD/BCF (pH 5.5): 25.739; (6)ACD/BCF (pH 7.4): 25.738; (7)ACD/KOC (pH 5.5): 355.89; (8)ACD/KOC (pH 7.4): 355.885; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 62.306 cm3; (15)Molar Volume: 179.92 cm3; (16)Surface Tension: 50.656 dyne/cm; (17)Density: 1.18 g/cm3; (18)Flash Point: 154.813 °C; (19)Enthalpy of Vaporization: 61.932 kJ/mol; (20)Boiling Point: 342.999 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)C(C(=O)c2ccccc2)O
(2) InChI: InChI=1/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
(3) InChIKey: ISAOCJYIOMOJEB-UHFFFAOYAO