4-Methylisoxazole-5-carboxylic acid supplier

Name
4-Methylisoxazole-5-carboxylic acid
EINECS
CAS No. 261350-46-3
Density 1.348 g/cm³
Solubility
Melting Point
Formula C₅H₅NO₃
Boiling Point 309.684 °C at 760 mmHg
Molecular Weight 127.1
Flash Point 141.092 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Methyl-5-isoxazolecarboxylicacid;
PSA 63.33000
LogP 0.68120

4-Methylisoxazole-5-carboxylic acid Specification

The 4-Methylisoxazole-5-carboxylic acid, with the CAS registry number 261350-46-3, is also known as 4-Methyl-5-isoxazolecarboxylic acid and 5-Isoxazolecarboxylic acid,4-methyl-. This chemical's molecular formula is C₅H₅NO₃ and molecular weight is 127.10. What's more, its systematic name is called 4-Methyl-1,2-oxazole-5-carboxylic acid.

Physical properties about 4-Methylisoxazole-5-carboxylic acid are: (1) ACD/LogP: 0.64; (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: 4; (8) #H bond donors: 1; (9) #Freely Rotating Bonds: 1; (10) Polar Surface Area: 63.33 Å²; (11) Index of Refraction: 1.514; (12) Molar Refractivity: 28.399 cm³; (13) Molar Volume: 94.256 cm³; (14) Surface Tension: 53.715 dyne/cm; (15) Density: 1.348 g/cm³; (16) Flash Point: 141.092 °C; (17) Enthalpy of Vaporization: 58.12 kJ/mol; (18) Boiling Point: 309.684 °C at 760 mmHg; (19) Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:OC(=O)c1oncc1C
(2) InChI:InChI=1/C5H5NO3/c1-3-2-6-9-4(3)5(7)8/h2H,1H3,(H,7,8)
(3) InChIKey:RITPLLYUVXGBFT-UHFFFAOYAV

Product Name

4-Methylisoxazole-5-carboxylic acid

4-Methylisoxazole-5-carboxylic acid Specification

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