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164397-17-5

164397-17-5 | Benzenesulfonic acid, 4-dodecyl-, 2-hydroxy-3-phenoxypropyl ester

CAS No: 164397-17-5 Catalog No: AG001UUU MDL No:

Product Description

Catalog Number:
AG001UUU
Chemical Name:
Benzenesulfonic acid, 4-dodecyl-, 2-hydroxy-3-phenoxypropyl ester
CAS Number:
164397-17-5
Molecular Formula:
C27H40O5S
Molecular Weight:
476.6685
IUPAC Name:
(2-hydroxy-3-phenoxypropyl) 4-dodecylbenzenesulfonate
InChI:
InChI=1S/C27H40O5S/c1-2-3-4-5-6-7-8-9-10-12-15-24-18-20-27(21-19-24)33(29,30)32-23-25(28)22-31-26-16-13-11-14-17-26/h11,13-14,16-21,25,28H,2-10,12,15,22-23H2,1H3
InChI Key:
UEJLFFMQARWVMC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)OCC(COc1ccccc1)O

Properties

Complexity:
560  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.26g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
476.672g/mol
Monoisotopic Mass:
476.26g/mol
Rotatable Bond Count:
18  
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5  

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