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Home > Pyridines > 114454-30-7
114454-30-7 | 2-Pyridinecarbonitrile, 6,6'-(hydroxymethylene)bis-
CAS No: 114454-30-7 Catalog No: AG000EFF MDL No:
Product Description
Catalog Number:
AG000EFF
Chemical Name:
2-Pyridinecarbonitrile, 6,6'-(hydroxymethylene)bis-
CAS Number:
114454-30-7
Molecular Formula:
C13H8N4O
Molecular Weight:
236.2288
IUPAC Name:
6-[(6-cyanopyridin-2-yl)-hydroxymethyl]pyridine-2-carbonitrile
InChI:
InChI=1S/C13H8N4O/c14-7-9-3-1-5-11(16-9)13(18)12-6-2-4-10(8-15)17-12/h1-6,13,18H
InChI Key:
LATHZOXPKQCLAT-UHFFFAOYSA-N
SMILES:
OC(c1cccc(n1)C#N)c1cccc(n1)C#N
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.234g/mol
Monoisotopic Mass:
236.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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