AG0032LZ

5744-56-9 | 1,3-Dimethylpyrazole-5-Carboxylic Acid

AG0032LZ

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CAS Number	5744-56-9
Catalog Number	AG0032LZ(AGN-PC-0JTCYD)
Chemical Name	1,3-Dimethylpyrazole-5-Carboxylic Acid
IUPAC Name	2,5-dimethylpyrazole-3-carboxylic acid
InChI	InChI=1S/C6H8N2O2/c1-4-3-5(6(9)10)8(2)7-4/h3H,1-2H3,(H,9,10)
InChI Key	QRWZFUBHOQWUGH-UHFFFAOYSA-N
MDL Number	MFCD00159636
Molecular Formula	C6H8N2O2
Molecular Weight	140.1399
SMILES	O=C(O)c1cc(nn1C)C
Synonyms	1,3-Dimethyl-1H-pyrazole-5-carboxylic acid, 5744-56-9, 1,3-Dimethylpyrazole-5-carboxylic acid, 1H-PYRAZOLE-5-CARBOXYLIC ACID, 1,3-DIMETHYL-, 2,5-dimethyl-2h-pyrazole-3-carboxylic acid, 1,3-Dimethylpyrazole-5-carboxylicacid, 2,5-dimethylpyrazole-3-carboxylic acid, QRWZFUBHOQWUGH-UHFFFAOYSA-N, 1,3-Dimethyl-1H-pyrazole-5-carboxylic acid, 97%, PubChem7839, AC1LBRG8, KSC269G2L, SCHEMBL286931, AC1Q408H, CHEMBL2287220, CTK1G9325, DTXSID60343142, ZINC158733, ALBB-012570, CS-D0830, ANW-48825, BBL012425, CL3405, MFCD00159636, SBB005425, STK347695, 1,3-dimethylpyrazol-5-carboxylic acid, AKOS000272878, ACN-050880, AS-5386, LS20296, MCULE-6579012974, PB14132, QC-3791, RP01247, TRA0049560, VP20012, KS-000006R6, AC-23160, AJ-15326, AK-29420, AM807072, AN-25159, BR-29420, SC-05457, SY007537, Pyrazole-5-carboxylic acid, 1,3-dmethyl-, AB0001120, AB1000978, DB-009142, ST2403417, ST4146316, TC-060576, 4CH-006461, BB 0219187, D5468, FT-0606682, W7080, 1H-Pyrazole-5-carboxylicacid, 1,3-dimethyl-, EN300-51244, 1,3-Dimethyl-1H-pyrazole-5-carboxylic acid #, D80016, H09022, S-3145, MFCD00159636 (97+%), 744D569, J-503919, F2164-0020, Z1245633316, InChI=1/C6H8N2O2/c1-4-3-5(6(9)10)8(2)7-4/h3H,1-2H3,(H,9,10, null, 1-cyclopropylbutane-1,3-dione, C6H8N2O2, CID587721, Pyrazole-5-carboxylic acid, 1,3-dimethyl-, A8188, 1,3-Dimethyl-1H-pyrazole-5-carboxylic acid, 97% - 1G 1g, 21573-10-4,

Complexity	149
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	1
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number