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205692-63-3 | 2,5-Pyrazinedicarboxylic acid, hydrate (1:2)
CAS No: 205692-63-3 Catalog No: AG002AAB MDL No:MFCD00216919
Product Description
Catalog Number:
AG002AAB
Chemical Name:
2,5-Pyrazinedicarboxylic acid, hydrate (1:2)
CAS Number:
205692-63-3
Molecular Formula:
C6H8N2O6
Molecular Weight:
204.1375
MDL Number:
MFCD00216919
IUPAC Name:
pyrazine-2,5-dicarboxylic acid;dihydrate
InChI:
InChI=1S/C6H4N2O4.2H2O/c9-5(10)3-1-7-4(2-8-3)6(11)12;;/h1-2H,(H,9,10)(H,11,12);2*1H2
InChI Key:
GVEVNOSZLMMBOR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncc(nc1)C(=O)O.O.O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
204.138g/mol
Monoisotopic Mass:
204.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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