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4-Methylisoxazole-5-carboxylic acid

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Name

4-Methylisoxazole-5-carboxylic acid

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

4-Methyl-5-isoxazolecarboxylicacid;

 

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

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