Ethanone,1-(2-hydroxy-4-methylphenyl)-, oxime supplier

Name
2'-Hydroxy-4'-methylacetophenone oxime
EINECS
CAS No. 36380-97-9
Article Data5
CAS DataBase
Density 1.12 g/cm³
Solubility
Melting Point
Formula C₉H₁₁NO₂
Boiling Point 309.1 °C at 760 mmHg
Molecular Weight 165.192
Flash Point 187.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetophenone,2'-hydroxy-4'-methyl-, oxime (5CI);2-Hydroxy-4-methylacetophenone oxime;4-Methyl-2-hydroxyacetophenone oxime;
PSA 49.33000
LogP 1.71530

Ethanone,1-(2-hydroxy-4-methylphenyl)-, oxime Specification

The Ethanone,1-(2-hydroxy-4-methylphenyl)-, oxime, with the CAS registry number 36380-97-9, is also known as 4-Methyl-2-hydroxyacetophenone oxime. This chemical's molecular formula is C₉H₁₁NO₂ and molecular weight is 165.19. What's more, its systematic name is 1-(2-Hydroxy-4-methyl-phenyl)ethanone oxime.

Physical properties about Ethanone,1-(2-hydroxy-4-methylphenyl)-, oxime: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.39; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 38.67; (6)ACD/BCF (pH 7.4): 38.04; (7)ACD/KOC (pH 5.5): 476.22; (8)ACD/KOC (pH 7.4): 468.55; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.82 Å²; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 45.85 cm³; (15)Molar Volume: 146.3 cm³; (16)Surface Tension: 37.8 dyne/cm; (17)Density: 1.12 g/cm³; (18)Flash Point: 187.1 °C; (19)Enthalpy of Vaporization: 58.05 kJ/mol; (20)Boiling Point: 309.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000282 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1ccc(c(c1)O)C(=NO)C
(2) InChI: InChI=1/C9H11NO2/c1-6-3-4-8(7(2)10-12)9(11)5-6/h3-5,11-12H,1-2H3
(3) InChIKey: OKHFHYLUACAYPT-UHFFFAOYAL

Product Name

2'-Hydroxy-4'-methylacetophenone oxime

Ethanone,1-(2-hydroxy-4-methylphenyl)-, oxime Specification

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