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533-37-9 | 6,7-Dihydro-5H-cyclopenta[b]pyridine
CAS No: 533-37-9 Catalog No: AG003FGH MDL No:MFCD00005933
Product Description
Catalog Number:
AG003FGH
Chemical Name:
6,7-Dihydro-5H-cyclopenta[b]pyridine
CAS Number:
533-37-9
Molecular Formula:
C8H9N
Molecular Weight:
119.1638
MDL Number:
MFCD00005933
IUPAC Name:
6,7-dihydro-5H-cyclopenta[b]pyridine
InChI:
InChI=1S/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h2,4,6H,1,3,5H2
InChI Key:
KRNSYSYRLQDHDK-UHFFFAOYSA-N
SMILES:
c1cnc2c(c1)CCC2
EC Number:
208-564-1
UNII:
18Z19A103W
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.073g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.167g/mol
Monoisotopic Mass:
119.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Raman and infrared spectra, ab initio and DFT calculations, and vibrational assignments for 2,3-cyclopentenopyridine. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081115 |
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