Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Oxazolecarboxylicacid, 5-(4-methoxyphenyl)- |
EINECS | N/A |
CAS No. | 89205-07-2 | Density | 1.31g/cm3 |
PSA | 72.56000 | LogP | 2.04840 |
Solubility | N/A | Melting Point |
147 °C |
Formula | C11H9NO4 | Boiling Point | 388.9 °C at 760 mmHg |
Molecular Weight | 219.19 | Flash Point | 189 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:Irritant; |
|
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-(4-Methoxyphenyl)oxazole-4-carboxylicacid; |
Article Data | 2 |
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