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1309973-67-8 | 4(1H)-Pyridinone, 3-chloro-5-hydroxy-1-methyl-
CAS No: 1309973-67-8 Catalog No: AG000V81 MDL No:
Product Description
Catalog Number:
AG000V81
Chemical Name:
4(1H)-Pyridinone, 3-chloro-5-hydroxy-1-methyl-
CAS Number:
1309973-67-8
Molecular Formula:
C6H6ClNO2
Molecular Weight:
159.5703
IUPAC Name:
3-chloro-5-hydroxy-1-methylpyridin-4-one
InChI:
InChI=1S/C6H6ClNO2/c1-8-2-4(7)6(10)5(9)3-8/h2-3,9H,1H3
InChI Key:
XHVOPMSXVMOQBR-UHFFFAOYSA-N
SMILES:
Cn1cc(O)c(=O)c(c1)Cl
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.009g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.569g/mol
Monoisotopic Mass:
159.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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