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162316-51-0 | Hexanoic acid, 2-(1,4,8,11-tetrathiacyclotetradec-6-yloxy)-
CAS No: 162316-51-0 Catalog No: AG001SZO MDL No:
Product Description
Catalog Number:
AG001SZO
Chemical Name:
Hexanoic acid, 2-(1,4,8,11-tetrathiacyclotetradec-6-yloxy)-
CAS Number:
162316-51-0
Molecular Formula:
C16H30O3S4
Molecular Weight:
398.6676
IUPAC Name:
2-(1,4,8,11-tetrathiacyclotetradec-6-yloxy)hexanoic acid
InChI:
InChI=1S/C16H30O3S4/c1-2-3-5-15(16(17)18)19-14-12-22-10-8-20-6-4-7-21-9-11-23-13-14/h14-15H,2-13H2,1H3,(H,17,18)
InChI Key:
ZIRYKADCKCUEGL-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)O)OC1CSCCSCCCSCCSC1
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.108g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.653g/mol
Monoisotopic Mass:
398.108g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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