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136714-45-9 | Pyridinium, 1-(2-amino-2-oxoethyl)-
CAS No: 136714-45-9 Catalog No: AG001295 MDL No:
Product Description
Catalog Number:
AG001295
Chemical Name:
Pyridinium, 1-(2-amino-2-oxoethyl)-
CAS Number:
136714-45-9
Molecular Formula:
C7H9N2O+
Molecular Weight:
137.1592
IUPAC Name:
2-pyridin-1-ium-1-ylacetamide
InChI:
InChI=1S/C7H8N2O/c8-7(10)6-9-4-2-1-3-5-9/h1-5H,6H2,(H-,8,10)/p+1
InChI Key:
ZJVYOVDSOZMWFU-UHFFFAOYSA-O
SMILES:
NC(=O)C[n+]1ccccc1
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.071g/mol
Formal Charge:
1
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.162g/mol
Monoisotopic Mass:
137.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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