AG0035JN

122-05-4 | PYRAZINE-2,5-DICARBOXYLIC ACID

AG0035JN

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CAS Number	122-05-4
Catalog Number	AG0035JN(AGN-PC-0JNSQ5)
Chemical Name	PYRAZINE-2,5-DICARBOXYLIC ACID
IUPAC Name	pyrazine-2,5-dicarboxylic acid
InChI	InChI=1S/C6H4N2O4/c9-5(10)3-1-7-4(2-8-3)6(11)12/h1-2H,(H,9,10)(H,11,12)
InChI Key	GMIOYJQLNFNGPR-UHFFFAOYSA-N
MDL Number	MFCD27920502
Molecular Formula	C6H4N2O4
Molecular Weight	168.1070
NSC Number	80650
SMILES	N1=C(C=NC(=C1)C(=O)O)C(=O)O
Synonyms	Pyrazine-2,5-dicarboxylic acid, 122-05-4, 2,5-Pyrazinedicarboxylic acid, 2,5-Pyrazinedicarboxylicacid, MFCD01630902, PubChem8868, AC1Q5UFQ, 205692-63-3, AC1L5S2Q, SCHEMBL70035, KSC177Q1R, CTK0H7818, KS-00000CUV, DTXSID30292178, GMIOYJQLNFNGPR-UHFFFAOYSA-N, BCP23297, CS-M0630, NSC80650, ZINC4202413, ANW-56461, CP-967, NSC-80650, RW2996, AKOS000279924, MCULE-6524532980, PB32256, QC-2260, RP23063, SB10620, TRA0094129, AJ-48398, AK-76746, AN-43421, BC223500, BR-76746, SC-00613, SY022756, TS-00145, AB0035220, DB-030295, ST2413705, TC-145206, 4CH-007656, FT-0651882, X9514, P24250, S-3665, MFCD01630902 (95+%), A804938, J-004753, J-524073, Z1741977680, Pyrazine-2,5-dicarboxylicacid, C6H4N2O4, AR-1D4578, CID255280, 1226-42-2,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.017g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	168.108g/mol
Monoisotopic Mass	168.017g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	100A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number