AG003EHA

5952-92-1 | 1-Methyl-1h-pyrazole-4-carboxylic acid

AG003EHA

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CAS Number	5952-92-1
Catalog Number	AG003EHA(AGN-PC-0JU8FG)
Chemical Name	1-Methyl-1h-pyrazole-4-carboxylic acid
IUPAC Name	1-methylpyrazole-4-carboxylic acid
InChI	InChI=1S/C5H6N2O2/c1-7-3-4(2-6-7)5(8)9/h2-3H,1H3,(H,8,9)
InChI Key	UPPPWUOZCSMDTR-UHFFFAOYSA-N
MDL Number	MFCD00159641
Molecular Formula	C5H6N2O2
Molecular Weight	126.1133
SMILES	O=C(C1=CN(C)N=C1)O
Synonyms	1-methyl-1H-pyrazole-4-carboxylic acid, 5952-92-1, 1-Methyl-4-pyrazolecarboxylic acid, 1-methylpyrazole-4-carboxylic acid, 1H-pyrazole-4-carboxylic acid, 1-methyl-, CHEMBL393429, CHEBI:74741, UPPPWUOZCSMDTR-UHFFFAOYSA-N, 1-methyl-pyrazole-4-carboxylic acid, 1-Methyl-1H-pyrazole-4-carboxylic acid, 97%, 1-methylpyrazole-4-carboxylicacid, zlchem 1243, PubChem16306, PubChem20860, BAS 10145669, AC1LD6MB, AC1Q3YSK, ACMC-209me3, KSC275C4L, SCHEMBL248730, CTK1H5145, 4-Carboxy-1-methyl-1H-pyrazole, DTXSID10349119, ZLE0018, 1-methylpyrazol-4-carboxylic acid, ACN-C001016, ACN-S004301, ALBB-000147, KS-000003QR, ZINC1088698, ANW-33289, BBL015776, BDBM50216522, CM-029, GEO-03720, MFCD00159641, SBB000052, STK256630, Methyl-1H-pyrazole-4-carboxylic acid, AKOS000206893, ACN-001016, MCULE-4399518565, PB27447, PS-3985, QC-2449, RP19674, RP19677, RTR-020646, WT82049, TRA-0197841, AC-23605, AJ-25017, AK-39751, BR-39751, SC-52446, ST044231, SY014144, AB0008684, DB-032255, ST2408823, TR-020646, AM20100453, BB 0219806, FT-0630315, M2224, EN300-14395, C-1170, MFCD00159641 (97+%), 952M921, I04-0401, J-504896, W-205858, Z99601198, InChI=1/C5H6N2O2/c1-7-3-4(2-6-7)5(8)9/h2-3H,1H3,(H,8,9, C5H6N2O2, 1-methyl-1H-pyrazole-5-carboxylic acid, CID643160, 2-Methyl-2H-pyrazole-3-carboxylic acid, A8366, 1-Methylpyrazole-4-carboxylic acid, 97% - 1G 1g, 16034-46-1,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.043g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	126.115g/mol
Monoisotopic Mass	126.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

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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