Home Other Building Blocks 3-(methanesulfinylmethyl)benzoic acid

3-(methanesulfinylmethyl)benzoic acid

CAS No.:
956332-98-2
Catalog Number:
AG019PK0
Molecular Formula:
C9H10O3S
Molecular Weight:
198.2389
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Product Description
Catalog Number:
AG019PK0
Chemical Name:
3-(methanesulfinylmethyl)benzoic acid
CAS Number:
956332-98-2
Molecular Formula:
C9H10O3S
Molecular Weight:
198.2389
MDL Number:
MFCD07847879
IUPAC Name:
3-(methylsulfinylmethyl)benzoic acid
InChI:
InChI=1S/C9H10O3S/c1-13(12)6-7-3-2-4-8(5-7)9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key:
HNKXRQQFQWARSQ-UHFFFAOYSA-N
SMILES:
CS(=O)Cc1cccc(c1)C(=O)O
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.035g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.236g/mol
Monoisotopic Mass:
198.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties