AG00366T

78703-53-4 | 1,3-Dimethyl-1H-pyrazole-4-carboxylic acid

AG00366T

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CAS Number	78703-53-4
Catalog Number	AG00366T(AGN-PC-0K2WSK)
Chemical Name	1,3-Dimethyl-1H-pyrazole-4-carboxylic acid
IUPAC Name	1,3-dimethylpyrazole-4-carboxylic acid
InChI	InChI=1S/C6H8N2O2/c1-4-5(6(9)10)3-8(2)7-4/h3H,1-2H3,(H,9,10)
InChI Key	YALJPBXSARRWTA-UHFFFAOYSA-N
MDL Number	MFCD00464005
Molecular Formula	C6H8N2O2
Molecular Weight	140.1399
SMILES	CN1N=C(C(=C1)C(=O)O)C
Synonyms	1,3-Dimethyl-1H-pyrazole-4-carboxylic acid, 78703-53-4, 1,3-dimethylpyrazole-4-carboxylic acid, 1H-Pyrazole-4-carboxylic acid, 1,3-dimethyl-, BAS 04879380, YALJPBXSARRWTA-UHFFFAOYSA-N, 1,3-dimethyl-pyrazole-4-carboxylic acid, AC1LOXRO, 1,3-Dimethyl-1H-pyrazole-4-carboxylicacid, AC1Q3YR4, SCHEMBL298523, CTK2H6899, DTXSID60361548, ALBB-000137, KS-000001EI, ZINC1088699, 2324AC, ANW-54679, BBL015859, CD-010, MFCD00464005, SBB000079, STK292777, AKOS000300852, AB06177, CS-W005947, MCULE-7471080463, QC-2440, WT81947, 1,3-dimethyl-4-pyrazolecarboxylic acid, AC-23120, AJ-25018, AK-40438, BS-13257, SC-15048, ST044232, SY046574, AB0049466, AB1008846, TR-025140, A9878, BB 0237314, FT-0678419, EN300-76584, MFCD00464005 (95%), W-7105, A839473, 1,3-Dimethyl-1H-pyrazole-4-carboxylic acid, AldrichCPR, F2169-0602, Z275170014, null, C6H8N2O2, CID1273304, 1H-Pyrazole-4-carboxylicacid,1,3-dimethyl-, (5Z)-5-(3-ethoxy-2-hydroxybenzylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one,

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	0.2

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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