AG000GKG

115294-67-2 | 1H-PYRAZOLE-5-CARBOXYLIC ACID, 1,3,4-TRIMETHYL-

AG000GKG

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CAS Number	115294-67-2
Catalog Number	AG000GKG(AGN-PC-01M826)
Chemical Name	1H-PYRAZOLE-5-CARBOXYLIC ACID, 1,3,4-TRIMETHYL-
IUPAC Name	2,4,5-trimethylpyrazole-3-carboxylic acid
InChI	InChI=1S/C7H10N2O2/c1-4-5(2)8-9(3)6(4)7(10)11/h1-3H3,(H,10,11)
InChI Key	WOPRYIVMIKGIGV-UHFFFAOYSA-N
MDL Number	MFCD18809731
Molecular Formula	C7H10N2O2
Molecular Weight	154.1665
SMILES	C1(C(O)=O)=C(C)C(=NN1C)C
Synonyms	115294-67-2, 1,3,4-Trimethyl-1H-pyrazole-5-carboxylic acid, 1H-Pyrazole-5-carboxylicacid, 1,3,4-trimethyl-, 1H-Pyrazole-5-carboxylic acid, 1,3,4-trimethyl-, W-204846, ACMC-20ml6k, SCHEMBL4763456, CTK0H2990, DTXSID00590936, ALBB-030722, MFCD18809731, ZINC82842942, AKOS022905003, FCH1133230, RP00239, Y7120, C7H10N2O2, 1H-Pyrazole-5-carboxylic acid, 1,3,4-trimethyl- (6CI,9CI),

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.074g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	154.169g/mol
Monoisotopic Mass	154.074g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
UN Code

Certificate of Analysis

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