3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-methoxy-4-methyl-


Chemical Name: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-methoxy-4-methyl-
CAS Number: 135302-13-5
Product Number: AG007LGH(AGN-PC-0NC3AC)
Synonyms:
MDL No:
Molecular Formula: C4H7N3O2
Molecular Weight: 129.1173

Identification/Properties


Computed Properties
Molecular Weight:
129.119g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
129.054g/mol
Monoisotopic Mass:
129.054g/mol
Topological Polar Surface Area:
53.9A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
165
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

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NMR Spectrum


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