Home Sulfos Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-

Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-

CAS No.:
74254-66-3
Catalog Number:
AG005MT1
Molecular Formula:
C13H16O4S
Molecular Weight:
268.3287
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Product Description
Catalog Number:
AG005MT1
Chemical Name:
Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-
CAS Number:
74254-66-3
Molecular Formula:
C13H16O4S
Molecular Weight:
268.3287
MDL Number:
MFCD12074408
IUPAC Name:
1-(benzenesulfonyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C13H16O4S/c14-12(15)13(9-5-2-6-10-13)18(16,17)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,15)
InChI Key:
QIDSTHQKFFPEIH-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCCC1)S(=O)(=O)c1ccccc1
Properties
Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.077g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.327g/mol
Monoisotopic Mass:
268.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties