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Home > Pyridines > 1187171-31-8
1187171-31-8 | 2-(3-Cyanobenzoyl)-6-methoxypyridine
CAS No: 1187171-31-8 Catalog No: AG01FDES MDL No:
Product Description
Catalog Number:
AG01FDES
Chemical Name:
2-(3-Cyanobenzoyl)-6-methoxypyridine
CAS Number:
1187171-31-8
Molecular Formula:
C14H10N2O2
Molecular Weight:
238.2414
IUPAC Name:
3-(6-methoxypyridine-2-carbonyl)benzonitrile
InChI:
InChI=1S/C14H10N2O2/c1-18-13-7-3-6-12(16-13)14(17)11-5-2-4-10(8-11)9-15/h2-8H,1H3
InChI Key:
DTHZJHXYHQYBOS-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(=O)c1cccc(n1)OC
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.246g/mol
Monoisotopic Mass:
238.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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