4-Oxazolecarboxylicacid, 5-(4-methoxyphenyl)- supplier

Name
5-(4-METHOXYPHENYL)-1,3-OXAZOLE-4-CARBOXYLIC ACID
EINECS
CAS No. 89205-07-2
Article Data2
CAS DataBase
Density 1.31g/cm³
Solubility
Melting Point 147 °C
Formula C₁₁H₉NO₄
Boiling Point 388.9 °C at 760 mmHg
Molecular Weight 219.19
Flash Point 189 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 5-(4-Methoxyphenyl)oxazole-4-carboxylicacid;
PSA 72.56000
LogP 2.04840

4-Oxazolecarboxylicacid, 5-(4-methoxyphenyl)- Specification

The 4-Oxazolecarboxylicacid, 5-(4-methoxyphenyl)-, with CAS registry number 89205-07-2, belongs to the following product categories: (1)Carboxylic Acids; (2)Oxazoles, Isoxazoles & Benzoxazoles. It has the systematic name of 5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid. And the chemical formula of this chemical is C₁₁H₉NO₄.

Physical properties of 4-Oxazolecarboxylicacid, 5-(4-methoxyphenyl)-: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.61; (4)ACD/LogD (pH 7.4): -2.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 61.56 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 54.84 cm³; (15)Molar Volume: 167.2 cm³; (16)Polarizability: 21.74×10^-24cm³; (17)Surface Tension: 51.2 dyne/cm; (18)Enthalpy of Vaporization: 67.31 kJ/mol; (19)Vapour Pressure: 9.59E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2ncoc2c1ccc(OC)cc1
(2)InChI: InChI=1/C11H9NO4/c1-15-8-4-2-7(3-5-8)10-9(11(13)14)12-6-16-10/h2-6H,1H3,(H,13,14)
(3)InChIKey: XVXCIDWYZMBWJU-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C11H9NO4/c1-15-8-4-2-7(3-5-8)10-9(11(13)14)12-6-16-10/h2-6H,1H3,(H,13,14)
(5)Std. InChIKey: XVXCIDWYZMBWJU-UHFFFAOYSA-N

Product Name

5-(4-METHOXYPHENYL)-1,3-OXAZOLE-4-CARBOXYLIC ACID

4-Oxazolecarboxylicacid, 5-(4-methoxyphenyl)- Specification

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