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155130-15-7 | 3,6,9,12-Tetraoxatetradecane-1,14-diol, 1-4-methylbenzenesulfonate
CAS No: 155130-15-7 Catalog No: AG001NMT MDL No:MFCD22574780
Product Description
Catalog Number:
AG001NMT
Chemical Name:
3,6,9,12-Tetraoxatetradecane-1,14-diol, 1-4-methylbenzenesulfonate
CAS Number:
155130-15-7
Molecular Formula:
C17H28O8S
Molecular Weight:
392.4644
MDL Number:
MFCD22574780
IUPAC Name:
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C17H28O8S/c1-16-2-4-17(5-3-16)26(19,20)25-15-14-24-13-12-23-11-10-22-9-8-21-7-6-18/h2-5,18H,6-15H2,1H3
InChI Key:
NSODVVYOWINKAG-UHFFFAOYSA-N
SMILES:
OCCOCCOCCOCCOCCOS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.15g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
392.463g/mol
Monoisotopic Mass:
392.15g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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