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Home > Pyridines > 138060-98-7
138060-98-7 | Acetamide, N-(5-formyl-1,6-dihydro-6-oxo-2-pyridinyl)-
CAS No: 138060-98-7 Catalog No: AG0017X6 MDL No:
Product Description
Catalog Number:
AG0017X6
Chemical Name:
Acetamide, N-(5-formyl-1,6-dihydro-6-oxo-2-pyridinyl)-
CAS Number:
138060-98-7
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
IUPAC Name:
N-(5-formyl-6-oxo-1H-pyridin-2-yl)acetamide
InChI:
InChI=1S/C8H8N2O3/c1-5(12)9-7-3-2-6(4-11)8(13)10-7/h2-4H,1H3,(H2,9,10,12,13)
InChI Key:
FJQLIZPIXGZGMF-UHFFFAOYSA-N
SMILES:
O=Cc1ccc([nH]c1=O)NC(=O)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.163g/mol
Monoisotopic Mass:
180.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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