4-Pyrimidinecarboxaldehyde, 2-methyl-


Chemical Name: 4-Pyrimidinecarboxaldehyde, 2-methyl-
CAS Number: 1004-17-7
Product Number: AG0001WD(AGN-PC-03JUI0)
Synonyms:
MDL No:
Molecular Formula: C6H6N2O
Molecular Weight: 122.1246

Identification/Properties


Computed Properties
Molecular Weight:
122.127g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
122.048g/mol
Monoisotopic Mass:
122.048g/mol
Topological Polar Surface Area:
42.8A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
105
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


NMR Spectrum


PNMR/2-METHYL-PYRIMIDINE-4-CARBALDEHYDE-1004-17-7-hnmr.pdf

Other Analytical Data


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