5-Pyrimidinecarboxaldehyde, 4,6-dimethoxy-


Chemical Name: 5-Pyrimidinecarboxaldehyde, 4,6-dimethoxy-
CAS Number: 4558-59-2
Product Number: AG00DKEN(AGN-PC-0LB3LI)
Synonyms:
MDL No:
Molecular Formula: C7H8N2O3
Molecular Weight: 168.1500

Identification/Properties


Computed Properties
Molecular Weight:
168.152g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
168.053g/mol
Monoisotopic Mass:
168.053g/mol
Topological Polar Surface Area:
61.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
142
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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