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81789-91-5 | 11-(2-sulfophenyl)undecanoic acid
CAS No: 81789-91-5 Catalog No: AG0056TF MDL No:
Product Description
Catalog Number:
AG0056TF
Chemical Name:
11-(2-sulfophenyl)undecanoic acid
CAS Number:
81789-91-5
Molecular Formula:
C17H26O5S
Molecular Weight:
342.4503
IUPAC Name:
11-(2-sulfophenyl)undecanoic acid
InChI:
InChI=1S/C17H26O5S/c18-17(19)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-16(15)23(20,21)22/h9-10,12-13H,1-8,11,14H2,(H,18,19)(H,20,21,22)
InChI Key:
WMFGXLFBJCSAGP-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCc1ccccc1S(=O)(=O)O
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.15g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.45g/mol
Monoisotopic Mass:
342.15g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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