5-Isoxazolecarboxylicacid,3-methoxy- supplier

Name
3-METHOXY-ISOXAZOLE-5-CARBOXYLIC ACID
EINECS
CAS No. 13626-59-0
Article Data9
CAS DataBase
Density 1.403 g/cm³
Solubility
Melting Point
Formula C₅H₅NO₄
Boiling Point 348.6 °C at 760 mmHg
Molecular Weight 143.099
Flash Point 164.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Methoxy-5-isoxazolecarboxylicacid;NSC 303798;
PSA 72.56000
LogP 0.38140

5-Isoxazolecarboxylicacid,3-methoxy- Specification

The 5-Isoxazolecarboxylicacid,3-methoxy- with CAS registry number of 13626-59-0 belongs to the classes of Heterocycles Series; Building Blocks; Carboxy and Isoxazole.The IUPAC name is 3-methoxy-1,2-oxazole-5-carboxylic acid. In addition, the formula is C₅H₅NO₄ and the molecular weight is 143.1.

Physical properties about this chemical are: (1)ACD/LogP: 0.65; (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; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 61.56 Å²; (11)Index of Refraction: 1.505; (12)Molar Refractivity: 30.25 cm³; (13)Molar Volume: 101.9 cm³; (14)Polarizability: 11.99 ×10^-24cm³; (15)Surface Tension: 52.2 dyne/cm; (16)Density: 1.403 g/cm³; (17)Flash Point: 164.6 °C; (18)Enthalpy of Vaporization: 62.58 kJ/mol; (19)Boiling Point: 348.6 °C at 760 mmHg; (20)Vapour Pressure: 1.87E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1onc(OC)c1
(2)InChI: InChI=1/C5H5NO4/c1-9-4-2-3(5(7)8)10-6-4/h2H,1H3,(H,7,8)
(3)InChIKey: WMMGHBYADJNEOC-UHFFFAOYAA

Product Name

3-METHOXY-ISOXAZOLE-5-CARBOXYLIC ACID

5-Isoxazolecarboxylicacid,3-methoxy- Specification

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