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50675-20-2 | Piperidine-4-carbaldehyde
CAS No: 50675-20-2 Catalog No: AG003TSV MDL No:MFCD08063889
Product Description
Catalog Number:
AG003TSV
Chemical Name:
Piperidine-4-carbaldehyde
CAS Number:
50675-20-2
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
MDL Number:
MFCD08063889
IUPAC Name:
piperidine-4-carbaldehyde
InChI:
InChI=1S/C6H11NO/c8-5-6-1-3-7-4-2-6/h5-7H,1-4H2
InChI Key:
HRVXPXCISZSDCC-UHFFFAOYSA-N
SMILES:
O=CC1CCNCC1
Properties
Complexity:
76.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
113.16g/mol
Monoisotopic Mass:
113.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Synthesis of 7-oxo-dihydrospiro[indazole-5,4'-piperidine] acetyl-CoA carboxylase inhibitors. | The Journal of organic chemistry 20120203 |
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