Home Other Building Blocks 4-(propane-2-sulfinyl)benzoic acid

4-(propane-2-sulfinyl)benzoic acid

CAS No.:
72460-80-1
Catalog Number:
AG01AKN4
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
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Product Description
Catalog Number:
AG01AKN4
Chemical Name:
4-(propane-2-sulfinyl)benzoic acid
CAS Number:
72460-80-1
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
MDL Number:
MFCD12771279
IUPAC Name:
4-propan-2-ylsulfinylbenzoic acid
InChI:
InChI=1S/C10H12O3S/c1-7(2)14(13)9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H,11,12)
InChI Key:
RKAJHDSVSASBOZ-UHFFFAOYSA-N
SMILES:
CC(S(=O)c1ccc(cc1)C(=O)O)C
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.051g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.263g/mol
Monoisotopic Mass:
212.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties