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89730-16-5 | Hexanoic acid, 6-chloro-6-(hexylsulfonyl)-
CAS No: 89730-16-5 Catalog No: AG0041XW MDL No:
Product Description
Catalog Number:
AG0041XW
Chemical Name:
Hexanoic acid, 6-chloro-6-(hexylsulfonyl)-
CAS Number:
89730-16-5
Molecular Formula:
C12H23ClO4S
Molecular Weight:
298.8266
IUPAC Name:
6-chloro-6-hexylsulfonylhexanoic acid
InChI:
InChI=1S/C12H23ClO4S/c1-2-3-4-7-10-18(16,17)11(13)8-5-6-9-12(14)15/h11H,2-10H2,1H3,(H,14,15)
InChI Key:
MDHRANQDGSSGRU-UHFFFAOYSA-N
SMILES:
CCCCCCS(=O)(=O)C(CCCCC(=O)O)Cl
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.822g/mol
Monoisotopic Mass:
298.101g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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