AG00GSOB

86625-25-4 | 1H-Pyrazole-3-carboxylicacid, 2, 5-dihydro-5-oxo-, methyl ester

AG00GSOB

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CAS Number	86625-25-4
Catalog Number	AG00GSOB(AGN-PC-0V78H0)
Chemical Name	1H-Pyrazole-3-carboxylicacid, 2, 5-dihydro-5-oxo-, methyl ester
IUPAC Name	methyl 5-oxo-1,2-dihydropyrazole-3-carboxylate
InChI	InChI=1S/C5H6N2O3/c1-10-5(9)3-2-4(8)7-6-3/h2H,1H3,(H2,6,7,8)
InChI Key	JTJZOTYGFHOHMK-UHFFFAOYSA-N
MDL Number	MFCD02322388
Molecular Formula	C5H6N2O3
Molecular Weight	142.1127
SMILES	O=C1C=C(NN1)C(=O)OC
Synonyms	1018446-60-0, methyl 5-hydroxy-1H-pyrazole-3-carboxylate, Methyl 5-Hydroxy-pyrazole-3-carboxylate, 86625-25-4, METHYL 3-HYDROXY-1H-PYRAZOLE-5-CARBOXYLATE, 5-hydroxy-2h-pyrazole-3-carboxylic acid methyl ester, Methyl 5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate, AK-77271, methyl 5-oxo-1,2-dihydropyrazole-3-carboxylate, Q-102375, methyl 5-Hydroxypyrazole-3-carboxylate, SCHEMBL285996, SCHEMBL10346398, CTK4A0310, KS-00000PJM, JTJZOTYGFHOHMK-UHFFFAOYSA-N, RD-12, ZINC565176, ACT05175, 0488AA, ANW-60960, MFCD02322388, MFCD09878841, AKOS003619636, AKOS006277465, AKOS015851359, methyl 3-hydroxypyrazole-5-carboxylate, CM-1809, CS-W000696, FCH1410750, RTC-060958, AJ-23512, AM806428, DS-17036, AB0004547, AX8223618, DB-031675, FT-0727380, X6430, X-3331, J-522486, I14-12180, Z2238508536, 1H-Pyrazole-3-carboxylic acid, 5-hydroxy-, methyl ester, 1H-Pyrazole-3-carboxylicacid, 2,5-dihydro-5-oxo-, methyl ester, C5H6N2O3, Methyl5-Hydroxy-pyrazole-3-carboxylate, ZINC00565176, CID6957297, ethyl 5-hydroxy-1H-pyrazole-3-carboxylate, A10326, 5-Hydroxy-1H-pyrazole-3-carboxylic acid methyl ester, 79746-67-1,

Complexity	209
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	2
Topological Polar Surface Area	67.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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