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2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid

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Name

2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid

EINECS N/A
CAS No. 107367-98-6 Density 1.245 g/cm3
PSA 63.33000 LogP 2.27710
Solubility N/A Melting Point 131 °C
Formula C12H11NO3 Boiling Point 411.7 °C at 760 mmHg
Molecular Weight 217.224 Flash Point 202.8 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 107367-98-6 (2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid) Hazard Symbols IrritantXi
Synonyms

2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ACETIC ACID;(5-METHYL-2-PHENYLOXAZOL-4-YL)ACETIC ACID;BUTTPARK 37\06-80;(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ACETIC ACID;2-(5-Methyl-2-phenyl-oxazol-4-yl)-acetic acid

Article Data 10

2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid Specification

This chemical is called 2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid, and its systematic name is (5-Methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid. With the molecular formula of C12H11NO3, its molecular weight is 217.22. The CAS registry number of this chemical is 107367-98-6. Additionally, its product categories are Carboxylic Acids; Oxazoles, Isoxazoles & Benzoxazoles.

Other characteristics of 2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid can be summarised as followings: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.8; (4)ACD/LogD (pH 7.4): -0.98; (5)ACD/BCF (pH 5.5): 1.15; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.28; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.33 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 57.17 cm3; (15)Molar Volume: 174.4 cm3; (16)Polarizability: 22.66×10-24cm3; (17)Surface Tension: 50.3 dyne/cm; (18)Density: 1.245 g/cm3; (19)Flash Point: 202.8 °C; (20)Enthalpy of Vaporization: 70.03 kJ/mol; (21)Boiling Point: 411.7 °C at 760 mmHg; (22)Vapour Pressure: 1.63E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. Wear suitable protective clothing, gloves and eye/face protection when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. 

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)Cc1nc(oc1C)c2ccccc2
2.InChI: InChI=1/C12H11NO3/c1-8-10(7-11(14)15)13-12(16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15)
3.InChIKey: XEWJNPORMBGGKZ-UHFFFAOYAO
4.Std. InChI: InChI=1S/C12H11NO3/c1-8-10(7-11(14)15)13-12(16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15)
5.Std. InChIKey: XEWJNPORMBGGKZ-UHFFFAOYSA-N

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