AG003269

3112-31-0 | 1H-Pyrazole-3,5-dicarboxylic acid

AG003269

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CAS Number	3112-31-0
Catalog Number	AG003269(AGN-PC-0JLQ42)
Chemical Name	1H-Pyrazole-3,5-dicarboxylic acid
EC Number	221-474-7
IUPAC Name	1H-pyrazole-3,5-dicarboxylic acid
InChI	InChI=1S/C5H4N2O4/c8-4(9)2-1-3(5(10)11)7-6-2/h1H,(H,6,7)(H,8,9)(H,10,11)
InChI Key	YDMVPJZBYSWOOP-UHFFFAOYSA-N
MDL Number	MFCD00149323
Molecular Formula	C5H4N2O4
Molecular Weight	156.0963
NSC Number	51108
SMILES	O=C(C1=NNC(C(O)=O)=C1)O
Synonyms	3,5-pyrazoledicarboxylic acid, 1H-Pyrazole-3,5-dicarboxylic acid, 3112-31-0, 3,5-Pyrazoledicarboxylic acid, Pyrazole-3,5-dicarboxylic acid, 3,5-pyrazol dicarboxylic acid, 3,5-Pyrazole dicarboxylic acid, YDMVPJZBYSWOOP-UHFFFAOYSA-N, Pyrazole-3,5-dicarboxylic acid monohydrate, CHEMBL2071014, 3,5-Pyrazoledicarboxylic acid monohydrate, 97%, EINECS 221-474-7, MFCD00005235, zlchem 726, 3,5-Dicarboxypyrazole, ACMC-20a0hc, AC1Q5UGX, SCHEMBL70577, KSC223C6J, 3,5-pyrazole-dicarboxylic acid, AC1L2R67, CHEMBL2078811, CTK1C3164, KS-00000JWA, YDMVPJZBYSWOOP-UHFFFAOYSA-, DTXSID90185057, HID1260, ZLD0180, 1H-Pyrazole-3,5-dicarboxylicacid, WT621, ACT06036, CS-D0468, NSC51108, ZINC2597098, 3,5-PYRAZOLEDICARBOXYLICACID, ANW-51550, BBL013494, BDBM50390930, HTS001217, NSC-51108, SBB012355, STL131877, AKOS000265042, MCULE-2451610704, QC-3925, RP21991, RTR-036430, TRA0039009, VP20056, AJ-43708, AK-44214, BR-44214, SC-16798, ST072167, AB0024122, ST2415518, TR-036430, 3112-31-0 3,5-pyrazoledicarboxylic acid, 4CH-012610, BB 0258571, FT-0083092, FT-0634672, P1048, W5323, 7M-725, P80026, S-1353, J-511379, S04-0042, Z1741972933, InChI=1/C5H4N2O4/c8-4(9)2-1-3(5(10)11)7-6-2/h1H,(H,6,7)(H,8,9)(H,10,11), C5H4N2O4, C5-H4-N2-O4, CID76559, AR-1E9817, 3,5-Pyrazoledicarboxylic acid hydrate, 3,5-Pyrazoledicarboxylic acid monohydrate, ACN-029191, C2623, 3,5-Pyrazoledicarboxylic acid, 98% - 1G 1g, 303180-11-2, 85908-17-4, 31404-29-2,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.017g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	156.097g/mol
Monoisotopic Mass	156.017g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	103A^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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number