Home Sulfos 3-(1-methanesulfonylcyclopropyl)benzoic acid

3-(1-methanesulfonylcyclopropyl)benzoic acid

CAS No.:
1890064-34-2
Catalog Number:
AG01EKKO
Molecular Formula:
C11H12O4S
Molecular Weight:
240.2756
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Product Description
Catalog Number:
AG01EKKO
Chemical Name:
3-(1-methanesulfonylcyclopropyl)benzoic acid
CAS Number:
1890064-34-2
Molecular Formula:
C11H12O4S
Molecular Weight:
240.2756
MDL Number:
MFCD31587796
IUPAC Name:
3-(1-methylsulfonylcyclopropyl)benzoic acid
InChI:
InChI=1S/C11H12O4S/c1-16(14,15)11(5-6-11)9-4-2-3-8(7-9)10(12)13/h2-4,7H,5-6H2,1H3,(H,12,13)
InChI Key:
BARFVKUYHLQXFA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)C1(CC1)S(=O)(=O)C
Properties
Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.046g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.273g/mol
Monoisotopic Mass:
240.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties