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Home Sulfos 1-((3,4-Dimethylphenyl)sulfonyl)cyclopentanecarboxylic acid

1-((3,4-Dimethylphenyl)sulfonyl)cyclopentanecarboxylic acid

CAS No.:
505071-94-3
Catalog Number:
AG00D9HE
Molecular Formula:
C14H18O4S
Molecular Weight:
282.3553
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
1 week
United States
$191
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Product Description
Catalog Number:
AG00D9HE
Chemical Name:
1-((3,4-Dimethylphenyl)sulfonyl)cyclopentanecarboxylic acid
CAS Number:
505071-94-3
Molecular Formula:
C14H18O4S
Molecular Weight:
282.3553
MDL Number:
MFCD03701696
IUPAC Name:
1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylic acid
InChI:
InChI=1S/C14H18O4S/c1-10-5-6-12(9-11(10)2)19(17,18)14(13(15)16)7-3-4-8-14/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)
InChI Key:
OLJLBERQLGMFSY-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCC1)S(=O)(=O)c1ccc(c(c1)C)C
Properties
Complexity:
443  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.093g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.354g/mol
Monoisotopic Mass:
282.093g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties