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921758-97-6

921758-97-6 | 1,3-Benzenediol, 2-(octadecylsulfonyl)-

CAS No: 921758-97-6 Catalog No: AG006GPJ MDL No:

Product Description

Catalog Number:
AG006GPJ
Chemical Name:
1,3-Benzenediol, 2-(octadecylsulfonyl)-
CAS Number:
921758-97-6
Molecular Formula:
C24H42O4S
Molecular Weight:
426.6529
IUPAC Name:
2-octadecylsulfonylbenzene-1,3-diol
InChI:
InChI=1S/C24H42O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-29(27,28)24-22(25)19-18-20-23(24)26/h18-20,25-26H,2-17,21H2,1H3
InChI Key:
FHRSXNUAIZPPQU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCS(=O)(=O)c1c(O)cccc1O

Properties

Complexity:
462  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.28g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
426.656g/mol
Monoisotopic Mass:
426.28g/mol
Rotatable Bond Count:
18  
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4  

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