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189631-29-6 | 2-Piperidinemethanol, 1-[(4-dodecylphenyl)sulfonyl]-
CAS No: 189631-29-6 Catalog No: AG002DUH MDL No:
Product Description
Catalog Number:
AG002DUH
Chemical Name:
2-Piperidinemethanol, 1-[(4-dodecylphenyl)sulfonyl]-
CAS Number:
189631-29-6
Molecular Formula:
C24H41NO3S
Molecular Weight:
423.6522
IUPAC Name:
[1-(4-dodecylphenyl)sulfonylpiperidin-2-yl]methanol
InChI:
InChI=1S/C24H41NO3S/c1-2-3-4-5-6-7-8-9-10-11-14-22-16-18-24(19-17-22)29(27,28)25-20-13-12-15-23(25)21-26/h16-19,23,26H,2-15,20-21H2,1H3
InChI Key:
POVWLGSDAXOTQL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)N1CCCCC1CO
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.281g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
423.656g/mol
Monoisotopic Mass:
423.281g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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