Home Sulfos 4-cyclopropylmethanesulfonylbenzoic acid

4-cyclopropylmethanesulfonylbenzoic acid

CAS No.:
1154385-37-1
Catalog Number:
AG01C2AW
Molecular Formula:
C11H12O4S
Molecular Weight:
240.2756
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Product Description
Catalog Number:
AG01C2AW
Chemical Name:
4-cyclopropylmethanesulfonylbenzoic acid
CAS Number:
1154385-37-1
Molecular Formula:
C11H12O4S
Molecular Weight:
240.2756
MDL Number:
MFCD12138826
IUPAC Name:
4-(cyclopropylmethylsulfonyl)benzoic acid
InChI:
InChI=1S/C11H12O4S/c12-11(13)9-3-5-10(6-4-9)16(14,15)7-8-1-2-8/h3-6,8H,1-2,7H2,(H,12,13)
InChI Key:
ZXFAOYFCXMOWMR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)S(=O)(=O)CC1CC1
Properties
Complexity:
356  
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:
4  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties