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Cas Database

Name	3-Methylisoxazole-5-carboxylic acid	EINECS	225-454-9
CAS No.	4857-42-5	Density	1.348g/cm³
PSA	63.33000	LogP	0.68120
Solubility	N/A	Melting Point	N/A
Formula	C₅H₅NO₃	Boiling Point	312.5°Cat760mmHg
Molecular Weight	127.1	Flash Point	142.8°C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	3-Methyl-5-isoxazolecarboxylicacid;3-Methyl-5-isoxazolylcarboxylic acid;5-Carboxy-3-methylisoxazole;U10387;	Article Data	23

3-Methylisoxazole-5-carboxylic acid Specification

The 3-Methylisoxazole-5-carboxylic acid with its cas register number is 4857-42-5. It also can be called as 5-Isoxazolecarboxylicacid, 3-methyl- and the IUPAC Name about this chemical is 5-methyl-1,2-oxazole-3-carboxylic acid. It belongs to the Heterocycles series.

Physical properties about 3-Methylisoxazole-5-carboxylic acid are: (1)ACD/LogP: 0.68; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 63.33Å²; (10)Index of Refraction: 1.514; (11)Molar Refractivity: 28.399 cm³; (12)Molar Volume: 94.256 cm³; (13)Polarizability: 11.258x10^-24cm³; (14)Surface Tension: 53.715 dyne/cm; (15)Enthalpy of Vaporization: 58.437 kJ/mol.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=NO1)C(=O)O
(2)InChI: InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)
(3)InChIKey: BNMPIJWVMVNSRD-UHFFFAOYSA-N

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