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31170-78-2 | 5H-Cyclopenta[b]pyridin-7(6H);-one
CAS No: 31170-78-2 Catalog No: AG003MA2 MDL No:MFCD07778341
Product Description
Catalog Number:
AG003MA2
Chemical Name:
5H-Cyclopenta[b]pyridin-7(6H);-one
CAS Number:
31170-78-2
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
MDL Number:
MFCD07778341
IUPAC Name:
5,6-dihydrocyclopenta[b]pyridin-7-one
InChI:
InChI=1S/C8H7NO/c10-7-4-3-6-2-1-5-9-8(6)7/h1-2,5H,3-4H2
InChI Key:
ZULJQRMXUOTWBU-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1nccc2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.15g/mol
Monoisotopic Mass:
133.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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