AG0032RB

400755-44-4 | 1-Ethyl-1H-pyrazole-3-carboxylic acid

AG0032RB

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CAS Number	400755-44-4
Catalog Number	AG0032RB(AGN-PC-0JT4WW)
Chemical Name	1-Ethyl-1H-pyrazole-3-carboxylic acid
IUPAC Name	1-ethylpyrazole-3-carboxylic acid
InChI	InChI=1S/C6H8N2O2/c1-2-8-4-3-5(7-8)6(9)10/h3-4H,2H2,1H3,(H,9,10)
InChI Key	YRKRPSDCHZQNDF-UHFFFAOYSA-N
MDL Number	MFCD02090832
Molecular Formula	C6H8N2O2
Molecular Weight	140.1399
SMILES	C(C)N1N=C(C=C1)C(=O)O
Synonyms	1-Ethyl-1H-pyrazole-3-carboxylic acid, 400755-44-4, 1-ethylpyrazole-3-carboxylic acid, YRKRPSDCHZQNDF-UHFFFAOYSA-N, MFCD02090832, BAS 07728596, AC1LCCR3, AC1Q5UGT, SCHEMBL932824, CTK4I2419, KS-00000COJ, 1-Ethylpyrazole-3-carboxylicAcid, DTXSID50341617, ZINC392140, ALBB-000974, ANW-71626, BBL001450, SBB000010, STK315864, AKOS000264930, Pyrazole-3-carboxylic acid, 1-ethyl-, BS-3797, MCULE-4757802727, RP01246, RTR-015992, TRA0009165, WT82051, AJ-21225, AK-77275, SY014156, 1-Ethyl-1H-pyrazole-3-carboxylic acid #, AB0041281, DB-069934, AM20100061, BB 0253274, FT-0678486, ST45161390, Y9010, 1H-Pyrazole-3-carboxylicacid,1-ethyl-(9CI), K-8569, MFCD02090832 (95+%), 1-Ethyl-1H-pyrazole-3-carboxylic acid, AldrichCPR, I04-4002, J-504591, F2169-0896, Z275169746, C6H8N2O2, AR-1C2882, CID574464, 1H-Pyrazole-3-carboxylicacid,1-ethyl-, 1H-Pyrazole-3-carboxylic acid, 1-ethyl- (9CI), 1H-PYRAZOLE-3-CARBOXYLIC ACID, ETHYL ESTER, (1,3-benzodioxol-5-ylmethyl)(2-pyridinylmethyl)amine dihydrobromide, 40334-50-7, 5932-27-4,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.059g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	140.142g/mol
Monoisotopic Mass	140.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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