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Home > Pyridines > 866049-85-6
866049-85-6 | 4-[(3-FORMYL-2-PYRIDINYL)OXY]BENZENECARBONITRILE
CAS No: 866049-85-6 Catalog No: AG00H20M MDL No:MFCD03305730
Product Description
Catalog Number:
AG00H20M
Chemical Name:
4-[(3-FORMYL-2-PYRIDINYL)OXY]BENZENECARBONITRILE
CAS Number:
866049-85-6
Molecular Formula:
C13H8N2O2
Molecular Weight:
224.2148
MDL Number:
MFCD03305730
IUPAC Name:
4-(3-formylpyridin-2-yl)oxybenzonitrile
InChI:
InChI=1S/C13H8N2O2/c14-8-10-3-5-12(6-4-10)17-13-11(9-16)2-1-7-15-13/h1-7,9H
InChI Key:
LGFOTXWHBPRDBG-UHFFFAOYSA-N
SMILES:
O=Cc1cccnc1Oc1ccc(cc1)C#N
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.219g/mol
Monoisotopic Mass:
224.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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