5-Isoxazolecarbonitrile, 3-methyl-


Chemical Name: 5-Isoxazolecarbonitrile, 3-methyl-
CAS Number: 65735-07-1
Product Number: AG00FD1I(AGN-PC-039DOK)
Synonyms:
MDL No:
Molecular Formula: C5H4N2O
Molecular Weight: 108.0981

Identification/Properties


Computed Properties
Molecular Weight:
108.1g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
108.032g/mol
Monoisotopic Mass:
108.032g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
126
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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