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Home > Pyridines > 1268095-80-2
1268095-80-2 | 3-Pyridinecarbonitrile, 5-(3-methoxyphenyl)-
CAS No: 1268095-80-2 Catalog No: AG000T9M MDL No:
Product Description
Catalog Number:
AG000T9M
Chemical Name:
3-Pyridinecarbonitrile, 5-(3-methoxyphenyl)-
CAS Number:
1268095-80-2
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
IUPAC Name:
5-(3-methoxyphenyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C13H10N2O/c1-16-13-4-2-3-11(6-13)12-5-10(7-14)8-15-9-12/h2-6,8-9H,1H3
InChI Key:
GNEHPQKVOLJGFU-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1cncc(c1)C#N
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.236g/mol
Monoisotopic Mass:
210.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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