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Home Other Building Blocks Benzoic acid, 2-(methylsulfinyl)-

Benzoic acid, 2-(methylsulfinyl)-

CAS No.:
19093-34-6
Catalog Number:
AG002EXN
Molecular Formula:
C8H8O3S
Molecular Weight:
184.2123
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Product Description
Catalog Number:
AG002EXN
Chemical Name:
Benzoic acid, 2-(methylsulfinyl)-
CAS Number:
19093-34-6
Molecular Formula:
C8H8O3S
Molecular Weight:
184.2123
MDL Number:
MFCD01936003
IUPAC Name:
2-methylsulfinylbenzoic acid
InChI:
InChI=1S/C8H8O3S/c1-12(11)7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
InChI Key:
JVYFTEBQXOBPAB-UHFFFAOYSA-N
SMILES:
CS(=O)c1ccccc1C(=O)O
NSC Number:
266227
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.019g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.209g/mol
Monoisotopic Mass:
184.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Ultrafast spectroscopy of a photochromic ruthenium sulfoxide complex. Inorganic chemistry 20110815
Thermal stability, photochromic sensitivity and optical properties of [Ru(bpy)(2)(OSOR)]+ compounds with R = Bn, BnCl, BnMe. Optics express 20101025
Solvent effects on isomerization in a ruthenium sulfoxide complex. Inorganic chemistry 20100517
Photochromic ruthenium sulfoxide complexes: evidence for isomerization through a conical intersection. Inorganic chemistry 20090907
Properties