4-Benzylidene-2-methyl-1,3-oxazol-5(4H)-one supplier

Name
4-[4-(1H-IMIDAZOL-1-YL)PHENYL]-2,4-DIOXO-BUTANOIC ACID
EINECS 212-921-7
CAS No. 105356-71-6
Density 1.16 g/cm³
Solubility
Melting Point
Formula C₁₁H₉NO₂
Boiling Point 292.1 °C at 760 mmHg
Molecular Weight 187.1947
Flash Point 136.6 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 4-[4-(1H-IMIDAZOL-1-YL)PHENYL]-2,4-DIOXO-BUTANOIC ACID;2,4-Dioxo-4-[4-(1H-imidazol-1-yl)]phenylbutanoic acid
PSA 89.26000
LogP 1.09880

4-Benzylidene-2-methyl-1,3-oxazol-5(4H)-one Specification

This chemical is called 4-Benzylidene-2-methyl-1,3-oxazol-5(4H)-one, and its CAS registry number is 105356-71-6. With the molecular formula of C₁₁H₉NO₂, its molecular weight is 187.1947.

Other characteristics of the 4-Benzylidene-2-methyl-1,3-oxazol-5(4H)-one can be summarised as followings: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.13; (5)ACD/BCF (pH 5.5): 24.46; (6)ACD/BCF (pH 7.4): 24.47; (7)ACD/KOC (pH 5.5): 343.17; (8)ACD/KOC (pH 7.4): 343.2; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.66 Å²; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 53.24 cm³; (15)Molar Volume: 160.2 cm³; (16)Polarizability: 21.1×10^-24cm³; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.16 g/cm³; (19)Flash Point: 136.6 °C; (20)Enthalpy of Vaporization: 53.16 kJ/mol; (21)Boiling Point: 292.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00187 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C2O\C(=N/C2=Cc1ccccc1)C
2.InChI: InChI=1/C11H9NO2/c1-8-12-10(11(13)14-8)7-9-5-3-2-4-6-9/h2-7H,1H3
3.InChIKey: BWQBTJRPSDVWIR-UHFFFAOYAC

Product Name

4-[4-(1H-IMIDAZOL-1-YL)PHENYL]-2,4-DIOXO-BUTANOIC ACID

4-Benzylidene-2-methyl-1,3-oxazol-5(4H)-one Specification

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