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Home > Pyridines > 1017040-89-9
1017040-89-9 | 2-[4-(pyridin-4-ylmethoxy)phenyl]acetonitrile
CAS No: 1017040-89-9 Catalog No: AG019V9C MDL No:MFCD09940648
Product Description
Catalog Number:
AG019V9C
Chemical Name:
2-[4-(pyridin-4-ylmethoxy)phenyl]acetonitrile
CAS Number:
1017040-89-9
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
MDL Number:
MFCD09940648
IUPAC Name:
2-[4-(pyridin-4-ylmethoxy)phenyl]acetonitrile
InChI:
InChI=1S/C14H12N2O/c15-8-5-12-1-3-14(4-2-12)17-11-13-6-9-16-10-7-13/h1-4,6-7,9-10H,5,11H2
InChI Key:
UKXCCQMTBCFURV-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)OCc1ccncc1
Properties
Complexity:
257
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
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