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2,5-Disulphobenzaldehyde

Catalog Number
ACM51818112
Product Name
2,5-Disulphobenzaldehyde
Structure
CAS
51818-11-2
Category
Other MOF Linkers
Synonyms
2,5-DISULPHOBENZALDEHYDE;2,5-DISULPHOBENALDEHYDE
IUPAC Name
2-formylbenzene-1,4-disulfonic acid
Molecular Weight
266.3g/mol
Molecular Formula
C7H6O7S2
Canonical SMILES
C1=CC(=C(C=C1S(=O)(=O)O)C=O)S(=O)(=O)O
InChI
InChI=1S/C7H6O7S2/c8-4-5-3-6(15(9,10)11)1-2-7(5)16(12,13)14/h1-4H,(H,9,10,11)(H,12,13,14)
InChI Key
DILXLMRYFWFBGR-UHFFFAOYSA-N
Purity
96%
Density
1.815 g/cm³
Complexity
452
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
265.95549487g/mol
Formal Charge
0
Heavy Atom Count
16
Hydrogen Bond Acceptor Count
7
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
265.95549487g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
143Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
-1.1
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