5-Isoxazoleacetic acid, 3-methyl-


Chemical Name: 5-Isoxazoleacetic acid, 3-methyl-
CAS Number: 19668-85-0
Product Number: AG0035YP(AGN-PC-0L70DI)
Synonyms:
MDL No:
Molecular Formula: C6H7NO3
Molecular Weight: 141.1247

Identification/Properties


Properties
MP:
101-104°C(lit.)
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
141.126g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
141.043g/mol
Monoisotopic Mass:
141.043g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
137
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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