3-(3-Methylphenyl)-5-isoxazoleamine


Chemical Name: 3-(3-Methylphenyl)-5-isoxazoleamine
CAS Number: 86685-97-4
Product Number: AG004OAU(AGN-PC-0WALDJ)
Synonyms:
MDL No:
Molecular Formula: C10H10N2O
Molecular Weight: 174.1992

Identification/Properties


Computed Properties
Molecular Weight:
174.203g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
174.079g/mol
Monoisotopic Mass:
174.079g/mol
Topological Polar Surface Area:
52A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
174
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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