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139539-63-2 | 2-Pyrimidinecarbonitrile, 4,6-dimethoxy-
CAS No: 139539-63-2 Catalog No: AG001B7E MDL No:MFCD04972587
Product Description
Catalog Number:
AG001B7E
Chemical Name:
2-Pyrimidinecarbonitrile, 4,6-dimethoxy-
CAS Number:
139539-63-2
Molecular Formula:
C7H7N3O2
Molecular Weight:
165.1494
MDL Number:
MFCD04972587
IUPAC Name:
4,6-dimethoxypyrimidine-2-carbonitrile
InChI:
InChI=1S/C7H7N3O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3H,1-2H3
InChI Key:
JKBOPKHTARFXNE-UHFFFAOYSA-N
SMILES:
COc1cc(OC)nc(n1)C#N
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.152g/mol
Monoisotopic Mass:
165.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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