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Home > Pyridines > 400077-25-0
400077-25-0 | 5-(4-cyanobenzamido)-2-methoxypyridin-1-ium-1-olate
CAS No: 400077-25-0 Catalog No: AG00IWF8 MDL No:MFCD00665542
Product Description
Catalog Number:
AG00IWF8
Chemical Name:
5-(4-cyanobenzamido)-2-methoxypyridin-1-ium-1-olate
CAS Number:
400077-25-0
Molecular Formula:
C14H11N3O3
Molecular Weight:
269.2554
MDL Number:
MFCD00665542
IUPAC Name:
4-cyano-N-(6-methoxy-1-oxidopyridin-1-ium-3-yl)benzamide
InChI:
InChI=1S/C14H11N3O3/c1-20-13-7-6-12(9-17(13)19)16-14(18)11-4-2-10(8-15)3-5-11/h2-7,9H,1H3,(H,16,18)
InChI Key:
FTQWEIMOFLDDNU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)Nc1ccc([n+](c1)[O-])OC
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.26g/mol
Monoisotopic Mass:
269.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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