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Home > Aldehydes > 124981-17-5
124981-17-5 | 2-Piperidinecarboxaldehyde, 1-[(4-methylphenyl)sulfonyl]-
CAS No: 124981-17-5 Catalog No: AG000MXV MDL No:
Product Description
Catalog Number:
AG000MXV
Chemical Name:
2-Piperidinecarboxaldehyde, 1-[(4-methylphenyl)sulfonyl]-
CAS Number:
124981-17-5
Molecular Formula:
C13H17NO3S
Molecular Weight:
267.3440
IUPAC Name:
1-(4-methylphenyl)sulfonylpiperidine-2-carbaldehyde
InChI:
InChI=1S/C13H17NO3S/c1-11-5-7-13(8-6-11)18(16,17)14-9-3-2-4-12(14)10-15/h5-8,10,12H,2-4,9H2,1H3
InChI Key:
AYTCBXVGSJDUPU-UHFFFAOYSA-N
SMILES:
O=CC1CCCCN1S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.343g/mol
Monoisotopic Mass:
267.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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