Home Sulfos 2-(2-methylbenzenesulfonyl)acetic acid

2-(2-methylbenzenesulfonyl)acetic acid

CAS No.:
15295-73-5
Catalog Number:
AG01DVJV
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
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Product Description
Catalog Number:
AG01DVJV
Chemical Name:
2-(2-methylbenzenesulfonyl)acetic acid
CAS Number:
15295-73-5
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
MDL Number:
MFCD12763270
IUPAC Name:
2-(2-methylphenyl)sulfonylacetic acid
InChI:
InChI=1S/C9H10O4S/c1-7-4-2-3-5-8(7)14(12,13)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key:
NCZQAXMIGPHWON-UHFFFAOYSA-N
SMILES:
OC(=O)CS(=O)(=O)c1ccccc1C
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.03g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.235g/mol
Monoisotopic Mass:
214.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties