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89067-44-7 | 1,3,5-Triazine-2-carbonitrile, 4,6-dimethoxy-
CAS No: 89067-44-7 Catalog No: AG00410O MDL No:
Product Description
Catalog Number:
AG00410O
Chemical Name:
1,3,5-Triazine-2-carbonitrile, 4,6-dimethoxy-
CAS Number:
89067-44-7
Molecular Formula:
C6H6N4O2
Molecular Weight:
166.1374
IUPAC Name:
4,6-dimethoxy-1,3,5-triazine-2-carbonitrile
InChI:
InChI=1S/C6H6N4O2/c1-11-5-8-4(3-7)9-6(10-5)12-2/h1-2H3
InChI Key:
VQETXCCOYWPLKV-UHFFFAOYSA-N
SMILES:
COc1nc(OC)nc(n1)C#N
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.14g/mol
Monoisotopic Mass:
166.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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