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25028-28-8 | 7H-Cyclopenta[b]pyridin-7-one, 5,6-dihydro-5-hydroxy-5-methyl-
CAS No: 25028-28-8 Catalog No: AG002Q80 MDL No:
Product Description
Catalog Number:
AG002Q80
Chemical Name:
7H-Cyclopenta[b]pyridin-7-one, 5,6-dihydro-5-hydroxy-5-methyl-
CAS Number:
25028-28-8
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
IUPAC Name:
5-hydroxy-5-methyl-6H-cyclopenta[b]pyridin-7-one
InChI:
InChI=1S/C9H9NO2/c1-9(12)5-7(11)8-6(9)3-2-4-10-8/h2-4,12H,5H2,1H3
InChI Key:
KKZVJNFEUUTUNN-UHFFFAOYSA-N
SMILES:
O=C1CC(c2c1nccc2)(C)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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