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pyrazinetetracarboxylic acid

Catalog Number
ACM43193608
Product Name
pyrazinetetracarboxylic acid
Structure
CAS
43193-60-8
Category
Carboxylic acid MOF ligand-polycarboxylic acid MOFs ligand
Synonyms
Pyrazinetetracarboxylic acid, EINECS 256-137-3, CID3016420, 43193-60-8
IUPAC Name
pyrazine-2,3,5,6-tetracarboxylic acid
Molecular Weight
256.125960 [g/mol]
Molecular Formula
C8H4N2O8
Canonical SMILES
C1(=C(N=C(C(=N1)C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C8H4N2O8/c11-5(12)1-2(6(13)14)10-4(8(17)18)3(9-1)7(15)16/h(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChI Key
RTHVZRHBNXZKKB-UHFFFAOYSA-N
Boiling Point
660ºC at 760 mmHg
Flash Point
353ºC
Purity
96%
Density
2.032g/cm³
Complexity
334
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
EC Number
256-137-3
Exact Mass
255.99676509g/mol
Formal Charge
0
Heavy Atom Count
18
Hydrogen Bond Acceptor Count
10
Hydrogen Bond Donor Count
4
Isotope Atom Count
0
Monoisotopic Mass
255.99676509g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
175Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
-0.8
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