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

2-(2-methanesulfinylphenyl)acetic acid

CAS No.:
90536-34-8
Catalog Number:
AG01B1I9
Molecular Formula:
C9H10O3S
Molecular Weight:
198.2389
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Product Description
Catalog Number:
AG01B1I9
Chemical Name:
2-(2-methanesulfinylphenyl)acetic acid
CAS Number:
90536-34-8
Molecular Formula:
C9H10O3S
Molecular Weight:
198.2389
MDL Number:
MFCD20641340
IUPAC Name:
2-(2-methylsulfinylphenyl)acetic acid
InChI:
InChI=1S/C9H10O3S/c1-13(12)8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key:
SDVMHTJFIXENIU-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccccc1S(=O)C
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:
0.5  
Properties