CAS No.84661-50-7,5-AMINO-3-METHYL-ISOXAZOLE-4-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	84661-50-7
Name:	5-AMINO-3-METHYL-ISOXAZOLE-4-CARBOXYLIC ACID

Formula:	C₅H₆N₂O₃
Molecular Weight:	142.114
Synonyms:	5-Amino-3-methyl-4-isoxazolecarboxylicacid;
Density:	1.472 g/cm³
Melting Point:	161-162 °C
Boiling Point:	365.9 °C at 760 mmHg
Flash Point:	175.1 °C
Risk Codes:	20/21/22
Safety:	22-24-25-36/37
PSA:	89.35000
LogP:	0.84460

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Specification

The 4-Isoxazolecarboxylicacid, 5-amino-3-methyl-, with the CAS registry number 84661-50-7, is also known as 5-Amino-3-methyl-4-isoxazolecarboxylic acid. Its molecular formula is C₅H₆N₂O₃and its systematic name is 5-amino-3-methyl-1,2-oxazole-4-carboxylic acid. Additionally, its product category is Carboxylicacid.

Other characteristics of the 4-Isoxazolecarboxylicacid, 5-amino-3-methyl- can be summarised as followings: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.65; (4)ACD/LogD (pH 7.4): -2.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.57 Å²; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 32.63 cm³; (15)Molar Volume: 96.5 cm³; (16)Polarizability: 12.93×10^-24cm³; (17)Surface Tension: 71.7 dyne/cm; (18)Density: 1.472 g/cm³; (19)Flash Point: 175.1 °C; (20)Enthalpy of Vaporization: 64.6 kJ/mol; (21)Boiling Point: 365.9 °C at 760 mmHg; (22)Vapour Pressure: 5.35E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1c(onc1C)N
2.InChI: InChI=1/C5H6N2O3/c1-2-3(5(8)9)4(6)10-7-2/h6H2,1H3,(H,8,9)
3.InChIKey: CNZBKZVKOBKIOR-UHFFFAOYAA