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89730-21-2 | Heptanoic acid, 7-chloro-7-(hexylsulfonyl)-
CAS No: 89730-21-2 Catalog No: AG0041XU MDL No:
Product Description
Catalog Number:
AG0041XU
Chemical Name:
Heptanoic acid, 7-chloro-7-(hexylsulfonyl)-
CAS Number:
89730-21-2
Molecular Formula:
C13H25ClO4S
Molecular Weight:
312.8532
IUPAC Name:
7-chloro-7-hexylsulfonylheptanoic acid
InChI:
InChI=1S/C13H25ClO4S/c1-2-3-4-8-11-19(17,18)12(14)9-6-5-7-10-13(15)16/h12H,2-11H2,1H3,(H,15,16)
InChI Key:
DHUQPPOSHGVIFW-UHFFFAOYSA-N
SMILES:
CCCCCCS(=O)(=O)C(CCCCCC(=O)O)Cl
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.849g/mol
Monoisotopic Mass:
312.116g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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