AG003453

37718-11-9 | 4-Pyrazolecarboxylic Acid

AG003453

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CAS Number	37718-11-9
Catalog Number	AG003453(AGN-PC-0KNVWP)
Chemical Name	4-Pyrazolecarboxylic Acid
EC Number	253-641-5
IUPAC Name	1H-pyrazole-4-carboxylic acid
InChI	InChI=1S/C4H4N2O2/c7-4(8)3-1-5-6-2-3/h1-2H,(H,5,6)(H,7,8)
InChI Key	IMBBXSASDSZJSX-UHFFFAOYSA-N
MDL Number	MFCD00011558
Molecular Formula	C4H4N2O2
Molecular Weight	112.0868
SMILES	O=C(O)c1cn[nH]c1
UNII	4XJZ84GV8E
Synonyms	4-carboxypyrazole, 1H-Pyrazole-4-carboxylic acid, 37718-11-9, 4-Pyrazolecarboxylic acid, 4-CARBOXYPYRAZOLE, Pyrazole-4-carboxylic Acid, UNII-4XJZ84GV8E, 1H-Pyrazole-4-carboxylicacid, 4-Carboxy-1H-pyrazole, 4XJZ84GV8E, IMBBXSASDSZJSX-UHFFFAOYSA-N, MFCD00011558, 4-Pyrazolecarboxylic acid, 97%, EINECS 253-641-5, pyrazole-4-carboxylic, PubChem13293, PubChem22749, 4-pyrazolcarboxylic acid, ACMC-1AHLP, 4-pyrazole carboxylic acid, AC1MI23J, Pyrazole -4-carboxylic acid, SCHEMBL29864, KSC224I6R, 1H-pyrazol-4-carboxylic acid, TPC-I177, CHEMBL3544508, 4-Pyrazolecarboxylic acid, 95%, CTK1C4468, DTXSID10191150, AC1Q7415, AC1Q7416, ACN-C000926, ACT01768, ALBB-000146, BCP06636, ZINC2167062, ANW-28720, BBL104304, CP-416, SBB017552, STK301302, AKOS000167971, ACN-001132, AN-6485, CS-W002065, LS21130, MCULE-8448917990, PB30547, PS-4787, RP19039, RTC-060993, TRA0040213, VP20111, KS-000003T4, AC-26698, AJ-33821, AK-25877, BP-11341, BR-25877, SC-20122, SY018302, AB0068593, DB-012321, ST2408929, TC-060993, TL8002774, A6437, AM20100007, BB 0240464, FT-0647579, P1978, ST45061576, EN300-41863, C-1041, P80030, MFCD00011558 (97+%), 718P119, I04-0398, F8889-7288, Z275128380, 4-PYRAZOLECARBOXYLICACID, C4-H4-N2-O2, CID3015937, 1-methyl-5-nitro-1H-benzo[d]imidazole, 1-Phenyl-1H-pyrazole-4-carboxylic acid, C2644, 1H-Pyrazole-4-carboxylic acid, 98% - 1G 1g, 1134-50-5,

Complexity	104
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	112.027g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	112.088g/mol
Monoisotopic Mass	112.027g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

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

Lot Number