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Home > Pyridines > 1000545-89-0
1000545-89-0 | 2-Pyridineacetonitrile, 6-(phenylmethoxy)-
CAS No: 1000545-89-0 Catalog No: AG0000PG MDL No:
Product Description
Catalog Number:
AG0000PG
Chemical Name:
2-Pyridineacetonitrile, 6-(phenylmethoxy)-
CAS Number:
1000545-89-0
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
IUPAC Name:
2-(6-phenylmethoxypyridin-2-yl)acetonitrile
InChI:
InChI=1S/C14H12N2O/c15-10-9-13-7-4-8-14(16-13)17-11-12-5-2-1-3-6-12/h1-8H,9,11H2
InChI Key:
IKRVODIMXPPYHC-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(n1)OCc1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.263g/mol
Monoisotopic Mass:
224.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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