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88368-79-0 | 1H-Cyclopenta[c]pyridin-1-one, 2,7-dihydro-3,6-dimethyl-
CAS No: 88368-79-0 Catalog No: AG004G1A MDL No:
Product Description
Catalog Number:
AG004G1A
Chemical Name:
1H-Cyclopenta[c]pyridin-1-one, 2,7-dihydro-3,6-dimethyl-
CAS Number:
88368-79-0
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
IUPAC Name:
3,6-dimethyl-2,7-dihydrocyclopenta[c]pyridin-1-one
InChI:
InChI=1S/C10H11NO/c1-6-3-8-5-7(2)11-10(12)9(8)4-6/h3,5H,4H2,1-2H3,(H,11,12)
InChI Key:
PIVMDRYSLAWXJU-UHFFFAOYSA-N
SMILES:
CC1=Cc2c(C1)c(=O)[nH]c(c2)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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