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Home > Pyridines > 652995-62-5
652995-62-5 | 2,4(1H,3H)-Pyridinedione,3-(iminomethyl)-(9CI)
CAS No: 652995-62-5 Catalog No: AG00EX32 MDL No:
Product Description
Catalog Number:
AG00EX32
Chemical Name:
2,4(1H,3H)-Pyridinedione,3-(iminomethyl)-(9CI)
CAS Number:
652995-62-5
IUPAC Name:
3-methanimidoyl-1H-pyridine-2,4-dione
InChI:
InChI=1S/C6H6N2O2/c7-3-4-5(9)1-2-8-6(4)10/h1-4,7H,(H,8,10)
InChI Key:
LLYOFDBFHGJZMO-UHFFFAOYSA-N
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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