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80020-14-0 | 4-(piperidine-1-carbonyl)benzaldehyde
CAS No: 80020-14-0 Catalog No: AG01B1YZ MDL No:MFCD16309689
Product Description
Catalog Number:
AG01B1YZ
Chemical Name:
4-(piperidine-1-carbonyl)benzaldehyde
CAS Number:
80020-14-0
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
MDL Number:
MFCD16309689
IUPAC Name:
4-(piperidine-1-carbonyl)benzaldehyde
InChI:
InChI=1S/C13H15NO2/c15-10-11-4-6-12(7-5-11)13(16)14-8-2-1-3-9-14/h4-7,10H,1-3,8-9H2
InChI Key:
UITGRKOJUBJCHX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(=O)N1CCCCC1
Properties
Complexity:
251
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:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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