AG00EJTO

58364-97-9 | 5-hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid

AG00EJTO

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CAS Number	58364-97-9
Catalog Number	AG00EJTO(AGN-PC-0OCPUI)
Chemical Name	5-hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid
IUPAC Name	2-methyl-3-oxo-1H-pyrazole-5-carboxylic acid
InChI	InChI=1S/C5H6N2O3/c1-7-4(8)2-3(6-7)5(9)10/h2,6H,1H3,(H,9,10)
InChI Key	PEABOOUFKYJUKN-UHFFFAOYSA-N
MDL Number	MFCD10699178
Molecular Formula	C5H6N2O3
Molecular Weight	142.1127
SMILES	O=C(C1=NN(C)C(O)=C1)O
Synonyms	5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid, 58364-97-9, 1-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid, 2-methyl-3-oxo-1H-pyrazole-5-carboxylic acid, MFCD10699178, SCHEMBL1267392, SCHEMBL2152111, CTK1G7659, DTXSID90482477, GJUJIVCZCCXXOX-UHFFFAOYSA-N, ANW-54338, KM0193, ZINC15022089, 3-Carboxy-1-methyl-1H-pyrazol-5-ol, AKOS006380486, AKOS023589395, ZINC100502493, AB62568, MCULE-7493978501, PS-3594, RP01312, 1401727-29-4, AJ-67102, AK-81704, 3-Carboxy-5-hydroxy-1-methyl-1H-pyrazole, DB-032172, TR-039034, CS-0061732, FT-0714112, ST24029491, Y9543, 5-hydroxy-1-methylpyrazole-3-carboxylic acid, I11-0396, J-517596, Z2236735605, 1-Methyl-2,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid, C5H6N2O3, ACN-025064,

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.038g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	142.114g/mol
Monoisotopic Mass	142.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	69.6A^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

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