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141476-54-2 | Dodecanoic acid, 2-[4-[[4-(acetyloxy)phenyl]sulfonyl]phenoxy]-
CAS No: 141476-54-2 Catalog No: AG001GG8 MDL No:
Product Description
Catalog Number:
AG001GG8
Chemical Name:
Dodecanoic acid, 2-[4-[[4-(acetyloxy)phenyl]sulfonyl]phenoxy]-
CAS Number:
141476-54-2
Molecular Formula:
C26H34O7S
Molecular Weight:
490.6090
IUPAC Name:
2-[4-(4-acetyloxyphenyl)sulfonylphenoxy]dodecanoic acid
InChI:
InChI=1S/C26H34O7S/c1-3-4-5-6-7-8-9-10-11-25(26(28)29)33-22-14-18-24(19-15-22)34(30,31)23-16-12-21(13-17-23)32-20(2)27/h12-19,25H,3-11H2,1-2H3,(H,28,29)
InChI Key:
DTALFWVPCKEZKJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC(C(=O)O)Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)OC(=O)C
Properties
Complexity:
699
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
490.203g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
490.611g/mol
Monoisotopic Mass:
490.203g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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