1H-Cyclopenta[b]pyridine-3-carboxylic acid, 2,5,6,7-tetrahydro-2-oxo-


Chemical Name: 1H-Cyclopenta[b]pyridine-3-carboxylic acid, 2,5,6,7-tetrahydro-2-oxo-
CAS Number: 115122-63-9
Product Number: AG000GBH(AGN-PC-0LU5E9)
Synonyms:
MDL No:
Molecular Formula: C9H9NO3
Molecular Weight: 179.1727

Identification/Properties


Computed Properties
Molecular Weight:
179.175g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
179.058g/mol
Monoisotopic Mass:
179.058g/mol
Topological Polar Surface Area:
66.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
352
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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