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643044-24-0 | 2(1H)-Pyridinone,3-isocyanato-(9CI)
CAS No: 643044-24-0 Catalog No: AG00EXZT MDL No:
Product Description
Catalog Number:
AG00EXZT
Chemical Name:
2(1H)-Pyridinone,3-isocyanato-(9CI)
CAS Number:
643044-24-0
IUPAC Name:
3-isocyanato-1H-pyridin-2-one
InChI:
InChI=1S/C6H4N2O2/c9-4-8-5-2-1-3-7-6(5)10/h1-3H,(H,7,10)
InChI Key:
XJVAHCIZFAZTQD-UHFFFAOYSA-N
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.027g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.11g/mol
Monoisotopic Mass:
136.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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