5-Isoxazolecarboxylicacid, 3-(4-methoxyphenyl)- supplier

Name
3-(4-METHOXYPHENYL)-5-ISOXAZOLECARBOXYLIC ACID
EINECS
CAS No. 618383-47-4
Article Data4
CAS DataBase
Density 1.31 g/cm³
Solubility
Melting Point 223-225 °C
Formula C₁₁H₉NO₄
Boiling Point 461.108 °C at 760 mmHg
Molecular Weight 219.19
Flash Point 232.67 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid;
PSA 72.56000
LogP 2.04840

5-Isoxazolecarboxylicacid, 3-(4-methoxyphenyl)- Specification

The 5-Isoxazolecarboxylicacid, 3-(4-methoxyphenyl)-, with the CAS registry number of 618383-47-4, is also known as 3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid and AKOS B024785. It belongs to the product category of API Intermediates. This chemical's molecular formula is C₁₁H₉NO₄ and molecular weight is 219.19. What's more, its IUPAC name is 3-(4-Methoxyphenyl)-1, 2-oxazole-5-carboxylic acid.

Physical properties about 5-Isoxazolecarboxylicacid, 3-(4-methoxyphenyl)- are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.095; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 72.56 Å²; (11)Index of Refraction: 1.57; (12)Molar Refractivity: 54.844 cm³; (13)Molar Volume: 167.268 cm³; (14)Polarizability: 21.742×10^-24 cm³; (15)Surface Tension: 51.255 dyne/cm; (16)Density: 1.31 g/cm³; (17)Flash Point: 232.67 °C; (18)Enthalpy of Vaporization: 76.064 kJ/mol; (19)Boiling Point: 461.108 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C; (21)Melting Point: 223-225 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc(cc1)c2cc(on2)C(=O)O
(2) InChI: InChI=1/C11H9NO4/c1-15-8-4-2-7(3-5-8)9-6-10(11(13)14)16-12-9/h2-6H,1H3,(H,13,14)
(3) InChIKey: WEFMAZCRNQZFAY-UHFFFAOYAB

Product Name

3-(4-METHOXYPHENYL)-5-ISOXAZOLECARBOXYLIC ACID

5-Isoxazolecarboxylicacid, 3-(4-methoxyphenyl)- Specification

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