AG001V4P

16490-02-1 | 4,6-Pyrimidinedicarboxylic acid

AG001V4P

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CAS Number	16490-02-1
Catalog Number	AG001V4P(AGN-PC-0JOEQH)
Chemical Name	4,6-Pyrimidinedicarboxylic acid
IUPAC Name	pyrimidine-4,6-dicarboxylic acid
InChI	InChI=1S/C6H4N2O4/c9-5(10)3-1-4(6(11)12)8-2-7-3/h1-2H,(H,9,10)(H,11,12)
InChI Key	XIEOKRXVAACBHI-UHFFFAOYSA-N
MDL Number	MFCD00094473
Molecular Formula	C6H4N2O4
Molecular Weight	168.1070
NSC Number	44347
SMILES	OC(=O)C1=CC(=NC=N1)C(O)=O
Synonyms	pyrimidine-4,6-dicarboxylic acid, 16490-02-1, 4,6-Pyrimidinedicarboxylic acid, 4,6-PYRIMIDINE DICARBOXYLIC ACID, AK-63356, J-650346, NSC44347, PubChem20732, pyrimidine analogue, 8, AC1Q5UGK, AC1L62YC, SCHEMBL71141, CHEMBL486163, BDBM26120, CTK0I3102, DTXSID50286236, XIEOKRXVAACBHI-UHFFFAOYSA-N, ZINC4798976, ANW-63899, FCH922245, MFCD00094473, NSC-44347, AKOS006343300, GS-5782, LS20885, MCULE-5704979292, PB12088, AC-28224, AJ-52320, QC-11376, AB0070320, AX8211631, TX-016893, 4CH-000455, CS-0045801, ST24031584, Z3392, KS-00000725, P16021, Q-3226, C6H4N2O4, AR-1L2819, CID239360, ACN-029982, C2482, 20110-58-1,

Complexity	186
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	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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