AG002AAB

205692-63-3 | 2,5-Pyrazinedicarboxylic acid, hydrate (1:2)

AG002AAB

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CAS Number	205692-63-3
Catalog Number	AG002AAB(AGN-PC-0KK0IB)
Chemical Name	2,5-Pyrazinedicarboxylic acid, hydrate (1:2)
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
MDL Number	MFCD27920502
Molecular Formula	C6H6N2O5
Molecular Weight	186.1222
SMILES	O=C(C1=NC=C(C(O)=O)N=C1)O.[H]O[H]
Synonyms	2,5-Pyrazinedicarboxylic acid dihydrate, 205692-63-3, Pyrazine-2,5-dicarboxylic Acid Dihydrate, 2,5-Pyrazinedicarboxylic acid, dihydrate, J-650251, AC1MC60Y, SCHEMBL336347, C6H4N2O4.2H2O, CTK1A5006, 2,5-Pyrazinedicarboxylicaciddehydrate, 2,5-Pyrazinedicarboxylicaciddihydrate, 3141AH, MFCD00216919, AKOS015893964, AK-81534, CC-07911, OR315199, DB-045284, RT-018531, FT-0643920, ST50825525, 2,5-Pyrazinedicarboxylic acid dihydrate, 96%, 2,5-Pyrazinedicarboxylicacid, hydrate (1:2), 2,5-Pyrazinedicarboxylic acid, hydrate (1:2), C-09937, I04-8877, pyrazine-2,5-dicarboxylic acid, oxamethane, oxamethane, 2,5-Pyrazinedicarboxylicacid,dihydrate, CID2724947,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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