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66644-80-2 | 2,3-Dimethoxy-5-sulfamoylbenzoic acid
CAS No: 66644-80-2 Catalog No: AG003M6T MDL No:MFCD01317561
Product Description
Catalog Number:
AG003M6T
Chemical Name:
2,3-Dimethoxy-5-sulfamoylbenzoic acid
CAS Number:
66644-80-2
Molecular Formula:
C9H11NO6S
Molecular Weight:
261.2517
MDL Number:
MFCD01317561
IUPAC Name:
2,3-dimethoxy-5-sulfamoylbenzoic acid
InChI:
InChI=1S/C9H11NO6S/c1-15-7-4-5(17(10,13)14)3-6(9(11)12)8(7)16-2/h3-4H,1-2H3,(H,11,12)(H2,10,13,14)
InChI Key:
YEVQOPOKMKTXMD-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(cc1C(=O)O)S(=O)(=O)N
EC Number:
266-433-4
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.031g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.248g/mol
Monoisotopic Mass:
261.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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