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Home > Pyridines > 821789-67-7
821789-67-7 | 4(1H)-Pyridinone, 1-(3-hydroxyphenyl)-2,6-dimethyl-, hydrochloride
CAS No: 821789-67-7 Catalog No: AG00575N MDL No:
Product Description
Catalog Number:
AG00575N
Chemical Name:
4(1H)-Pyridinone, 1-(3-hydroxyphenyl)-2,6-dimethyl-, hydrochloride
CAS Number:
821789-67-7
Molecular Formula:
C13H14ClNO2
Molecular Weight:
251.7088
IUPAC Name:
1-(3-hydroxyphenyl)-2,6-dimethylpyridin-4-one;hydrochloride
InChI:
InChI=1S/C13H13NO2.ClH/c1-9-6-13(16)7-10(2)14(9)11-4-3-5-12(15)8-11;/h3-8,15H,1-2H3;1H
InChI Key:
RPEBYDRFGPDLMQ-UHFFFAOYSA-N
SMILES:
O=c1cc(C)n(c(c1)C)c1cccc(c1)O.Cl
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.071g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.71g/mol
Monoisotopic Mass:
251.071g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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