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105356-71-6

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