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137695-89-7 | 2-Pyrazinecarbonitrile, 3-methoxy-5-methyl-6-phenyl-
CAS No: 137695-89-7 Catalog No: AG0013QF MDL No:
Product Description
Catalog Number:
AG0013QF
Chemical Name:
2-Pyrazinecarbonitrile, 3-methoxy-5-methyl-6-phenyl-
CAS Number:
137695-89-7
Molecular Formula:
C13H11N3O
Molecular Weight:
225.2459
IUPAC Name:
3-methoxy-5-methyl-6-phenylpyrazine-2-carbonitrile
InChI:
InChI=1S/C13H11N3O/c1-9-12(10-6-4-3-5-7-10)16-11(8-14)13(15-9)17-2/h3-7H,1-2H3
InChI Key:
PWLKRUROPZFXJW-UHFFFAOYSA-N
SMILES:
N#Cc1nc(c2ccccc2)c(nc1OC)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.251g/mol
Monoisotopic Mass:
225.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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