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pyrazine-2,3,5,6-tetracarboxylic acid

pyrazine-2,3,5,6-tetracarboxylic acid

CAS: 43193-60-8

Formula: C8H4N2O8

SMILES: OC(=O)C1=NC(C(O)=O)=C(N=C1C(O)=O)C(O)=O

IUPAC: pyrazine-2,3,5,6-tetracarboxylic acid

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)

Composition: C (37.52%), H (1.57%), N (10.94%), O (49.97%)

Molar Mass: 256.126

Atom Count: 22

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 255.996765097
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 4
InChIKey RTHVZRHBNXZKKB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.28
Topological Polar Surface Area 174.98
Polarizability 18.63
Ring Count 1
Rotatable Bond Count 4

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