3-Isoxazolecarboxylic acid, 5-methyl-, 2-(phenylmethyl)hydrazide


Chemical Name: 3-Isoxazolecarboxylic acid, 5-methyl-, 2-(phenylmethyl)hydrazide
CAS Number: 59-63-2
Product Number: AG00EDIX(AGN-PC-0JK6NJ)
Synonyms:
MDL No:
Molecular Formula: C12H13N3O2
Molecular Weight: 231.2505

Identification/Properties


Computed Properties
Molecular Weight:
231.255g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
231.101g/mol
Monoisotopic Mass:
231.101g/mol
Topological Polar Surface Area:
67.2A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
254
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:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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