Home Other Building Blocks 4-[(1-hydroxypropan-2-yl)sulfamoyl]benzoic acid

4-[(1-hydroxypropan-2-yl)sulfamoyl]benzoic acid

CAS No.:
1087792-64-0
Catalog Number:
AG019N6P
Molecular Formula:
C10H13NO5S
Molecular Weight:
259.2789
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Product Description
Catalog Number:
AG019N6P
Chemical Name:
4-[(1-hydroxypropan-2-yl)sulfamoyl]benzoic acid
CAS Number:
1087792-64-0
Molecular Formula:
C10H13NO5S
Molecular Weight:
259.2789
MDL Number:
MFCD11505468
IUPAC Name:
4-(1-hydroxypropan-2-ylsulfamoyl)benzoic acid
InChI:
InChI=1S/C10H13NO5S/c1-7(6-12)11-17(15,16)9-4-2-8(3-5-9)10(13)14/h2-5,7,11-12H,6H2,1H3,(H,13,14)
InChI Key:
ZSVYMPKNXYDAMD-UHFFFAOYSA-N
SMILES:
OCC(NS(=O)(=O)c1ccc(cc1)C(=O)O)C
Properties
Complexity:
353  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.051g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
259.276g/mol
Monoisotopic Mass:
259.051g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties