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7680-68-4 | Pyridinium, 4-(aminocarbonyl)-1-methyl-, chloride
CAS No: 7680-68-4 Catalog No: AG005I8D MDL No:
Product Description
Catalog Number:
AG005I8D
Chemical Name:
Pyridinium, 4-(aminocarbonyl)-1-methyl-, chloride
CAS Number:
7680-68-4
Molecular Formula:
C7H9ClN2O
Molecular Weight:
172.6122
IUPAC Name:
1-methylpyridin-1-ium-4-carboxamide;chloride
InChI:
InChI=1S/C7H8N2O.ClH/c1-9-4-2-6(3-5-9)7(8)10;/h2-5H,1H3,(H-,8,10);1H
InChI Key:
NCSYUVDQJSKXQH-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc[n+](cc1)C.[Cl-]
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.612g/mol
Monoisotopic Mass:
172.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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