AG000T32

126674-95-1 | 1H-Pyrazole-5-carboxylic acid, 3-methoxy-1-methyl-

AG000T32

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CAS Number	126674-95-1
Catalog Number	AG000T32(AGN-PC-07ABNL)
Chemical Name	1H-Pyrazole-5-carboxylic acid, 3-methoxy-1-methyl-
IUPAC Name	5-methoxy-2-methylpyrazole-3-carboxylic acid
InChI	InChI=1S/C6H8N2O3/c1-8-4(6(9)10)3-5(7-8)11-2/h3H,1-2H3,(H,9,10)
InChI Key	SFSQKEJNNYYLKZ-UHFFFAOYSA-N
MDL Number	MFCD13175003
Molecular Formula	C6H8N2O3
Molecular Weight	156.1393
SMILES	O=C(C1=CC(OC)=NN1C)O
Synonyms	3-Methoxy-1-methyl-1H-pyrazole-5-carboxylic acid, 126674-95-1, 1H-PYRAZOLE-5-CARBOXYLIC ACID, 3-METHOXY-1-METHYL-, 5-methoxy-2-methylpyrazole-3-carboxylic acid, SCHEMBL2516746, DTXSID30665161, SFSQKEJNNYYLKZ-UHFFFAOYSA-N, KS-00000P5I, MFCD13175003, ZINC39057902, FCH1185910, AJ-97741, AK-68285, AX8218230, CS-0043937, 1H-Pyrazole-5-carboxylicacid,3-methoxy-1-methyl-(9CI),

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.053g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	156.141g/mol
Monoisotopic Mass	156.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	64.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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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