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145022-00-0 | 3-Piperidinecarboxaldehyde, 1-(phenylmethyl)-
CAS No: 145022-00-0 Catalog No: AG001KHE MDL No:MFCD03086173
Product Description
Catalog Number:
AG001KHE
Chemical Name:
3-Piperidinecarboxaldehyde, 1-(phenylmethyl)-
CAS Number:
145022-00-0
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
MDL Number:
MFCD03086173
IUPAC Name:
1-benzylpiperidine-3-carbaldehyde
InChI:
InChI=1S/C13H17NO/c15-11-13-7-4-8-14(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2
InChI Key:
VXLGEGLTEVHHOC-UHFFFAOYSA-N
SMILES:
O=CC1CCCN(C1)Cc1ccccc1
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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