Home Sulfos 4-(Cyclopropylsulfonyl)benzoic acid

4-(Cyclopropylsulfonyl)benzoic acid

CAS No.:
1346608-85-2
Catalog Number:
AG00HTF7
Molecular Formula:
C10H10O4S
Molecular Weight:
226.2490
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Product Description
Catalog Number:
AG00HTF7
Chemical Name:
4-(Cyclopropylsulfonyl)benzoic acid
CAS Number:
1346608-85-2
Molecular Formula:
C10H10O4S
Molecular Weight:
226.2490
MDL Number:
MFCD20921541
IUPAC Name:
4-cyclopropylsulfonylbenzoic acid
InChI:
InChI=1S/C10H10O4S/c11-10(12)7-1-3-8(4-2-7)15(13,14)9-5-6-9/h1-4,9H,5-6H2,(H,11,12)
InChI Key:
UKHGPJWPMADJGO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)S(=O)(=O)C1CC1
Properties
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.246g/mol
Monoisotopic Mass:
226.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties