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22117-85-7 | 2-Methoxy-5-sulfamoylbenzoic acid
CAS No: 22117-85-7 Catalog No: AG003HJG MDL No:MFCD00129997
Product Description
Catalog Number:
AG003HJG
Chemical Name:
2-Methoxy-5-sulfamoylbenzoic acid
CAS Number:
22117-85-7
Molecular Formula:
C8H9NO5S
Molecular Weight:
231.2258
MDL Number:
MFCD00129997
IUPAC Name:
2-methoxy-5-sulfamoylbenzoic acid
InChI:
InChI=1S/C8H9NO5S/c1-14-7-3-2-5(15(9,12)13)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)(H2,9,12,13)
InChI Key:
SQAILWDRVDGLGY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)O)S(=O)(=O)N
EC Number:
244-789-1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.02g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.222g/mol
Monoisotopic Mass:
231.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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