Home Other Building Blocks 2-(4-methanesulfinylphenyl)acetic acid

2-(4-methanesulfinylphenyl)acetic acid

CAS No.:
118362-28-0
Catalog Number:
AG01BHF5
Molecular Formula:
C9H10O3S
Molecular Weight:
198.2389
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Product Description
Catalog Number:
AG01BHF5
Chemical Name:
2-(4-methanesulfinylphenyl)acetic acid
CAS Number:
118362-28-0
Molecular Formula:
C9H10O3S
Molecular Weight:
198.2389
MDL Number:
MFCD20438511
IUPAC Name:
2-(4-methylsulfinylphenyl)acetic acid
InChI:
InChI=1S/C9H10O3S/c1-13(12)8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key:
CBUAZQVVFGAWMC-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)S(=O)C
Properties
Complexity:
207  
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