AG004824

885223-58-5 | 3-METHYL-1H-INDAZOLE-5-CARBOXYLIC ACID

AG004824

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CAS Number	885223-58-5
Catalog Number	AG004824(AGN-PC-0OLR0H)
Chemical Name	3-METHYL-1H-INDAZOLE-5-CARBOXYLIC ACID
IUPAC Name	3-methyl-2H-indazole-5-carboxylic acid
InChI	InChI=1S/C9H8N2O2/c1-5-7-4-6(9(12)13)2-3-8(7)11-10-5/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key	BGNZTRUIXUSPDY-UHFFFAOYSA-N
MDL Number	MFCD14706741
Molecular Formula	C9H8N2O2
Molecular Weight	176.1720
SMILES	O=C(C1=CC2=C(NN=C2C)C=C1)O
Synonyms	3-Methyl-1H-indazole-5-carboxylic acid, 885223-58-5, 1H-Indazole-5-carboxylic acid, 3-methyl-, 3-methyl-2H-indazole-5-carboxylic acid, SCHEMBL1145076, CTK8B8894, DTXSID20732674, BGNZTRUIXUSPDY-UHFFFAOYSA-N, 4160AC, ANW-61559, MFCD14706741, ZINC51943521, AKOS016002815, 3-Methyl-1H-indazole-5-carboxylicacid, CM-1558, CM10792, MB14464, 3-Methyl-1H-indazole-5-carboxlic acid, AS-47400, SC-51772, 3-METHYL-INDAZOLE-5-CARBOXYLIC ACID, AJ-111830, DB-077322, TC-150304, CS-0091825, FT-0736310, Z-5961, Z1255497795, C9H8N2O2,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.059g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	176.175g/mol
Monoisotopic Mass	176.059g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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