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7117-20-6 | Acetic acid, [(methylphenylamino)sulfonyl]-
CAS No: 7117-20-6 Catalog No: AG005KLZ MDL No:
Product Description
Catalog Number:
AG005KLZ
Chemical Name:
Acetic acid, [(methylphenylamino)sulfonyl]-
CAS Number:
7117-20-6
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
IUPAC Name:
2-[methyl(phenyl)sulfamoyl]acetic acid
InChI:
InChI=1S/C9H11NO4S/c1-10(8-5-3-2-4-6-8)15(13,14)7-9(11)12/h2-6H,7H2,1H3,(H,11,12)
InChI Key:
WZRUMZRVNJXYIQ-UHFFFAOYSA-N
SMILES:
CN(S(=O)(=O)CC(=O)O)c1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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