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Home > Pyridines > 1187171-35-2
1187171-35-2 | 2-(4-Cyanobenzoyl)-6-methoxypyridine
CAS No: 1187171-35-2 Catalog No: AG01FDET MDL No:
Product Description
Catalog Number:
AG01FDET
Chemical Name:
2-(4-Cyanobenzoyl)-6-methoxypyridine
CAS Number:
1187171-35-2
Molecular Formula:
C14H10N2O2
Molecular Weight:
238.2414
IUPAC Name:
4-(6-methoxypyridine-2-carbonyl)benzonitrile
InChI:
InChI=1S/C14H10N2O2/c1-18-13-4-2-3-12(16-13)14(17)11-7-5-10(9-15)6-8-11/h2-8H,1H3
InChI Key:
RPNPPBQTTXDDEY-UHFFFAOYSA-N
SMILES:
COc1cccc(n1)C(=O)c1ccc(cc1)C#N
Properties
Complexity:
339
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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