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141796-15-8 | 2-Butanone, 1-(acetyloxy)-1-[(4-dodecylphenyl)sulfonyl]-3,3-dimethyl-
CAS No: 141796-15-8 Catalog No: AG001H7G MDL No:
Product Description
Catalog Number:
AG001H7G
Chemical Name:
2-Butanone, 1-(acetyloxy)-1-[(4-dodecylphenyl)sulfonyl]-3,3-dimethyl-
CAS Number:
141796-15-8
Molecular Formula:
C26H42O5S
Molecular Weight:
466.6737
IUPAC Name:
[1-(4-dodecylphenyl)sulfonyl-3,3-dimethyl-2-oxobutyl] acetate
InChI:
InChI=1S/C26H42O5S/c1-6-7-8-9-10-11-12-13-14-15-16-22-17-19-23(20-18-22)32(29,30)25(31-21(2)27)24(28)26(3,4)5/h17-20,25H,6-16H2,1-5H3
InChI Key:
XAXDNHTUPMVYPM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)C(C(=O)C(C)(C)C)OC(=O)C
Properties
Complexity:
649
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.275g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
466.677g/mol
Monoisotopic Mass:
466.275g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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