Home Sulfos 2-(cyclohexanesulfonyl)-3-methylbutanoic acid

2-(cyclohexanesulfonyl)-3-methylbutanoic acid

CAS No.:
1178202-86-2
Catalog Number:
AG01A9ZD
Molecular Formula:
C11H20O4S
Molecular Weight:
248.3391
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Product Description
Catalog Number:
AG01A9ZD
Chemical Name:
2-(cyclohexanesulfonyl)-3-methylbutanoic acid
CAS Number:
1178202-86-2
Molecular Formula:
C11H20O4S
Molecular Weight:
248.3391
MDL Number:
MFCD12801104
IUPAC Name:
2-cyclohexylsulfonyl-3-methylbutanoic acid
InChI:
InChI=1S/C11H20O4S/c1-8(2)10(11(12)13)16(14,15)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,12,13)
InChI Key:
RZCUHVRKXPGBBB-UHFFFAOYSA-N
SMILES:
CC(C(S(=O)(=O)C1CCCCC1)C(=O)O)C
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.108g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.337g/mol
Monoisotopic Mass:
248.108g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties