Home Aldehydes 1-Piperidinecarboxaldehyde,4-oxo-(9CI)

1-Piperidinecarboxaldehyde,4-oxo-(9CI)

CAS No.:
383193-66-6
Catalog Number:
AG00CMJ3
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00CMJ3
Chemical Name:
1-Piperidinecarboxaldehyde,4-oxo-(9CI)
CAS Number:
383193-66-6
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD18810967
IUPAC Name:
4-oxopiperidine-1-carbaldehyde
InChI:
InChI=1S/C6H9NO2/c8-5-7-3-1-6(9)2-4-7/h5H,1-4H2
InChI Key:
NMDUFFZOCLWSIP-UHFFFAOYSA-N
SMILES:
O=CN1CCC(=O)CC1
Properties
Complexity:
123  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Literature
Title Journal
1-{[5-(4-Chloro-phen-yl)-1-(4-fluoro-phen-yl)-1H-pyrazol-3-yl]carbon-yl]}piperidin-4-one. Acta crystallographica. Section E, Structure reports online 20101201
Properties