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141313-84-0 | 1,3-Benzenedicarboxylic acid, 5-(aminosulfonyl)-
CAS No: 141313-84-0 Catalog No: AG001G6R MDL No:
Product Description
Catalog Number:
AG001G6R
Chemical Name:
1,3-Benzenedicarboxylic acid, 5-(aminosulfonyl)-
CAS Number:
141313-84-0
Molecular Formula:
C8H7NO6S
Molecular Weight:
245.2093
IUPAC Name:
5-sulfamoylbenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C8H7NO6S/c9-16(14,15)6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)(H2,9,14,15)
InChI Key:
SUSROBQGNIABSP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1)S(=O)(=O)N)C(=O)O
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.999g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
245.205g/mol
Monoisotopic Mass:
244.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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