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189344-72-7 | Tetradecanoic acid, 4-sulfophenyl ester
CAS No: 189344-72-7 Catalog No: AG002IBT MDL No:
Product Description
Catalog Number:
AG002IBT
Chemical Name:
Tetradecanoic acid, 4-sulfophenyl ester
CAS Number:
189344-72-7
Molecular Formula:
C20H32O5S
Molecular Weight:
384.5301
IUPAC Name:
4-tetradecanoyloxybenzenesulfonic acid
InChI:
InChI=1S/C20H32O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(21)25-18-14-16-19(17-15-18)26(22,23)24/h14-17H,2-13H2,1H3,(H,22,23,24)
InChI Key:
XJNFYMQVYQIDDM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(=O)Oc1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.197g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.531g/mol
Monoisotopic Mass:
384.197g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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