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Home > Aldehydes > 1260825-25-9
1260825-25-9 | 4-Piperidinecarboxaldehyde, 3-oxo-1-(phenylmethyl)-
CAS No: 1260825-25-9 Catalog No: AG000RED MDL No:
Product Description
Catalog Number:
AG000RED
Chemical Name:
4-Piperidinecarboxaldehyde, 3-oxo-1-(phenylmethyl)-
CAS Number:
1260825-25-9
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
1-benzyl-3-oxopiperidine-4-carbaldehyde
InChI:
InChI=1S/C13H15NO2/c15-10-12-6-7-14(9-13(12)16)8-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2
InChI Key:
YWIAKSINCGZDTE-UHFFFAOYSA-N
SMILES:
O=CC1CCN(CC1=O)Cc1ccccc1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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