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1823882-20-7 | 5-Pyrimidinecarbonitrile, 2-methoxy-4,6-dimethyl-
CAS No: 1823882-20-7 Catalog No: AG0023QT MDL No:
Product Description
Catalog Number:
AG0023QT
Chemical Name:
5-Pyrimidinecarbonitrile, 2-methoxy-4,6-dimethyl-
CAS Number:
1823882-20-7
Molecular Formula:
C8H9N3O
Molecular Weight:
163.1766
IUPAC Name:
2-methoxy-4,6-dimethylpyrimidine-5-carbonitrile
InChI:
InChI=1S/C8H9N3O/c1-5-7(4-9)6(2)11-8(10-5)12-3/h1-3H3
InChI Key:
JIDOWXPUXWSZLP-UHFFFAOYSA-N
SMILES:
COc1nc(C)c(c(n1)C)C#N
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.18g/mol
Monoisotopic Mass:
163.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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