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5-Sulfoisophthalic acid

Catalog Number
ACM22326314-1
CAS Number
22326-31-4
Product Name
5-Sulfoisophthalic acid
Structure
Category
Carboxylic acid MOF ligand-tricarboxylic acid MOF ligand
Synonyms
5-Sulfobenzene-1,3-dicarboxylic acid; 5-Sulfo-3-benzenedicarboxylicacid
Description
Solid
IUPAC Name
5-sulfobenzene-1,3-dicarboxylic acid
Molecular Weight
246.19
Molecular Formula
C8H6O7S
InChI
InChI=1S/C8H6O7S/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)
InChI Key
CARJPEPCULYFFP-UHFFFAOYSA-N
Boiling Point
258 °C
Melting Point
258 °C
Purity
97%
Appearance
Greenish yellow powder
Complexity
371
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Deprecated CAS
266353-10-0, 126038-71-9
EC Number
244-912-9
Exact Mass
245.98342370g/mol
Formal Charge
0
Hazard Statements
C
Heavy Atom Count
16
Hydrogen Bond Acceptor Count
7
Hydrogen Bond Donor Count
3
Isotope Atom Count
0
MeSH Entry Terms
5-sulfoisophthalic acid
Monoisotopic Mass
245.98342370g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
137Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
UNII
826FR8A3IP
XLogP3
-0.3
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