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116709-95-6 | Propanoic acid, 3-(cyclohexylsulfonyl)-
CAS No: 116709-95-6 Catalog No: AG000D5K MDL No:
Product Description
Catalog Number:
AG000D5K
Chemical Name:
Propanoic acid, 3-(cyclohexylsulfonyl)-
CAS Number:
116709-95-6
Molecular Formula:
C9H16O4S
Molecular Weight:
220.2859
IUPAC Name:
3-cyclohexylsulfonylpropanoic acid
InChI:
InChI=1S/C9H16O4S/c10-9(11)6-7-14(12,13)8-4-2-1-3-5-8/h8H,1-7H2,(H,10,11)
InChI Key:
HJOHWICBMURIRO-UHFFFAOYSA-N
SMILES:
OC(=O)CCS(=O)(=O)C1CCCCC1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.283g/mol
Monoisotopic Mass:
220.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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