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Home > Pyridines > 823176-21-2
823176-21-2 | 4(1H)-Pyridinone,1-(3-hydroxyphenyl)-2,6-dimethyl-(9CI)
CAS No: 823176-21-2 Catalog No: AG00GE71 MDL No:MFCD06496382
Product Description
Catalog Number:
AG00GE71
Chemical Name:
4(1H)-Pyridinone,1-(3-hydroxyphenyl)-2,6-dimethyl-(9CI)
CAS Number:
823176-21-2
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
MDL Number:
MFCD06496382
IUPAC Name:
1-(3-hydroxyphenyl)-2,6-dimethylpyridin-4-one
InChI:
InChI=1S/C13H13NO2/c1-9-6-13(16)7-10(2)14(9)11-4-3-5-12(15)8-11/h3-8,15H,1-2H3
InChI Key:
TYARIDJPUOKTAB-UHFFFAOYSA-N
SMILES:
O=c1cc(C)n(c(c1)C)c1cccc(c1)O
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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