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1407532-80-2 | 5-acetyl-3-iodo-6-methyl-1,2-dihydropyridin-2-one
CAS No: 1407532-80-2 Catalog No: AG00HVW3 MDL No:MFCD22573522
Product Description
Catalog Number:
AG00HVW3
Chemical Name:
5-acetyl-3-iodo-6-methyl-1,2-dihydropyridin-2-one
CAS Number:
1407532-80-2
Molecular Formula:
C8H8INO2
Molecular Weight:
277.0591
MDL Number:
MFCD22573522
IUPAC Name:
5-acetyl-3-iodo-6-methyl-1H-pyridin-2-one
InChI:
InChI=1S/C8H8INO2/c1-4-6(5(2)11)3-7(9)8(12)10-4/h3H,1-2H3,(H,10,12)
InChI Key:
XVXNPHHEOBYYAE-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(I)c(=O)[nH]c1C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.96g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.061g/mol
Monoisotopic Mass:
276.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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