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88963-69-3 | Cyclohexanesulfonic acid, 4-(acetylamino)-
CAS No: 88963-69-3 Catalog No: AG0047HU MDL No:
Product Description
Catalog Number:
AG0047HU
Chemical Name:
Cyclohexanesulfonic acid, 4-(acetylamino)-
CAS Number:
88963-69-3
Molecular Formula:
C8H15NO4S
Molecular Weight:
221.2740
IUPAC Name:
4-acetamidocyclohexane-1-sulfonic acid
InChI:
InChI=1S/C8H15NO4S/c1-6(10)9-7-2-4-8(5-3-7)14(11,12)13/h7-8H,2-5H2,1H3,(H,9,10)(H,11,12,13)
InChI Key:
GXWHJVCFNMHJEN-UHFFFAOYSA-N
SMILES:
CC(=O)NC1CCC(CC1)S(=O)(=O)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.271g/mol
Monoisotopic Mass:
221.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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