AG002ZQZ

303180-11-2 | 1H-Pyrazole-3,5-dicarboxylic acid, hydrate (1:1)

AG002ZQZ

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CAS Number	303180-11-2
Catalog Number	AG002ZQZ(AGN-PC-0KJZZ3)
Chemical Name	1H-Pyrazole-3,5-dicarboxylic acid, hydrate (1:1)
EC Number	221-474-7
IUPAC Name	1H-pyrazole-3,5-dicarboxylic acid;hydrate
InChI	InChI=1S/C5H4N2O4.H2O/c8-4(9)2-1-3(5(10)11)7-6-2;/h1H,(H,6,7)(H,8,9)(H,10,11);1H2
InChI Key	GLINCONFUZIMCN-UHFFFAOYSA-N
MDL Number	MFCD00149323
Molecular Formula	C5H6N2O5
Molecular Weight	174.1115
SMILES	O.[NH]1C(=CC(=N1)C(=O)O)C(=O)O
Synonyms	303180-11-2, 1H-pyrazole-3,5-dicarboxylic Acid Hydrate, 3,5-Pyrazoledicarboxylic acid monohydrate, 1H-Pyrazole-3,5-Dicarboxylic Acid Monohydrate, MFCD00149323, AK-89746, Pyrazole-3,5-dicarboxylic acid monohydrate, CHEMBL2071014, pyrazole-3,5-dicarboxylic acid, hydrate, 3,5-Pyrazoledicarboxylic acid monohydrate, 97%, ACMC-1AEZK, AC1MC3GU, SCHEMBL1267709, CTK1C2167, DTXSID70369090, GLINCONFUZIMCN-UHFFFAOYSA-N, KS-00000NF6, ANW-27035, SBB003804, AKOS016004429, TRA0056441, ACM303180112, SC-70024, SY022693, 1H-Pyrazole-3,5-dicarboxylicacidmonohydrate, AB0004117, AX8082997, RT-002714, 1H-Pyrazole-3,5-dicarboxylic acid; hydrate, CS-0059155, FT-0694587, ST24038293, ST50307917, Z-4732, MFCD00149323 (97+%), 1H-Pyrazole-3,5-dicarboxylic acid hydrate (1:1), 1H-Pyrazole-3,5-dicarboxylic acid, hydrate (1:1), 1H-Pyrazole-3,5-dicarboxylicacid, hydrate (1:1), I14-71160, Pyrazole-3,5-dicarboxylic acid, ACN-041828, CID2723723, 3,5-PYRAZOLEDICARBOXYLICACIDMONOHYDRATE, 3112-31-0,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.028g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	174.112g/mol
Monoisotopic Mass	174.028g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	104A^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
Signal Words	warning
UN Code

Certificate of Analysis

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