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3-Sulphophthalic acid

Catalog Number
ACM67892437-2
Product Name
3-Sulphophthalic acid
Structure
CAS
67892-43-7
Category
Customizable MOF Linkers
Synonyms
3-Sulfo-1,2-benzenedicarboxylic acid
IUPAC Name
3-sulfophthalic acid
Molecular Weight
246.19
Molecular Formula
C8H6O7S
InChI
InChI=1S/C8H6O7S/c9-7(10)4-2-1-3-5(16(13,14)15)6(4)8(11)12/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)
InChI Key
SDGNNLQZAPXALR-UHFFFAOYSA-N
Purity
97%
Complexity
393
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
EC Number
267-576-5;247-885-1
Exact Mass
245.98342370g/mol
Formal Charge
0
Heavy Atom Count
16
Hydrogen Bond Acceptor Count
7
Hydrogen Bond Donor Count
3
Isotope Atom Count
0
Monoisotopic Mass
245.98342370g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
137Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
-0.3
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