AG002Q7H

25016-17-5 | 1H-Pyrazole-3-carboxylic acid, 5-methyl-, methyl ester

AG002Q7H

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CAS Number	25016-17-5
Catalog Number	AG002Q7H(AGN-PC-0KKJ5D)
Chemical Name	1H-Pyrazole-3-carboxylic acid, 5-methyl-, methyl ester
IUPAC Name	methyl 5-methyl-1H-pyrazole-3-carboxylate
InChI	InChI=1S/C6H8N2O2/c1-4-3-5(8-7-4)6(9)10-2/h3H,1-2H3,(H,7,8)
InChI Key	GFEZEVUIYRGWNU-UHFFFAOYSA-N
MDL Number	MFCD03778987
Molecular Formula	C6H8N2O2
Molecular Weight	140.1399
SMILES	CC1=CC(=NN1)C(=O)OC
Synonyms	methyl 5-methyl-1H-pyrazole-3-carboxylate, 25016-17-5, methyl 3-methyl-1H-pyrazole-5-carboxylate, methyl 5-methylpyrazole-3-carboxylate, 1H-Pyrazole-3-carboxylic acid, 5-methyl-, methyl ester, 30027-55-5, methyl 5-methyl-2H-pyrazole-3-carboxylate, 5-Methyl-1H-pyrazole-3-carboxylic acid methyl ester, MFCD03778987, 5-Methyl-2H-pyrazole-3-carboxylic acid methyl ester, 5-methyl-1(2)H-pyrazole-3-carboxylic acid methyl ester, AC1MBMJH, AC1Q43TM, methylmethylpyrazolecarboxylate, KSC554Q1L, SCHEMBL171413, AMOT0250, CTK4F4815, CTK6I8074, DTXSID50372961, GFEZEVUIYRGWNU-UHFFFAOYSA-N, RD-05, 5-methoxycarbonyl-3-me-thylpyrazole, ACN-P001022, ZINC3851821, ANW-74239, BBL030093, HTS028209, SBB022982, STK350172, methyl 3-methylpyrazole-5-carboxylate, AKOS000280688, AKOS000348709, ACN-001022, AM85681, CS-W008500, MCULE-1750080124, QC-4668, RP09814, TRA0068899, KS-00000F72, AC-27317, AJ-45915, AJ-45916, AK-77018, CJ-10823, ST097479, SY051122, Methyl 5-methyl[1H]pyrazole-3-carboxylate, AB0001209, DB-067295, TR-011462, FT-0680103, M2465, Methyl 5-methylpyrazole-3-carboxylate, 97%, ST24048013, Y5359, EN300-52178, MFCD03778987 (97%), C-4286, 5-Methylpyrazole-3-carboxylic Acid Methyl Ester, 12X-0844, 1H-Pyrazole-3-carboxylicacid,5-methyl-,methyl ester, J-522493, I14-27656, 1H-Pyrazole-3-carboxylicacid, 5-methyl-, methyl ester, C6H8N2O2, ZINC03851821, CID2753079,

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	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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