AG008U78

1071433-06-1 | 2-Methylindazole-4-carboxylic acid

AG008U78

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CAS Number	1071433-06-1
Catalog Number	AG008U78(AGN-PC-0WBSND)
Chemical Name	2-Methylindazole-4-carboxylic acid
IUPAC Name	2-methylindazole-4-carboxylic acid
InChI	InChI=1S/C9H8N2O2/c1-11-5-7-6(9(12)13)3-2-4-8(7)10-11/h2-5H,1H3,(H,12,13)
InChI Key	DPLXRRMSJKKHDU-UHFFFAOYSA-N
MDL Number	MFCD15071443
Molecular Formula	C9H8N2O2
Molecular Weight	176.1720
SMILES	O=C(C1=CC=CC2=NN(C)C=C12)O
Synonyms	2-METHYL-2H-INDAZOLE-4-CARBOXYLIC ACID, 1071433-06-1, 2-METHYLINDAZOLE-4-CARBOXYLIC ACID, W-204627, SCHEMBL2011238, DTXSID20597907, KS-000003GZ, MFCD15071443, ZINC66322788, AKOS024126647, FCH1138968, PB19431, RP02975, 2H-Indazole-4-carboxylicacid,2-methyl-, AK165248, AS-33609, DA-19275, 2H-Indazole-4-carboxylic acid, 2-methyl-, CS-0051871, FT-0721732, Y6955, J-509933, C9H8N2O2, C-2494,

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	1
Isotope Atom Count	0
Molecular Weight	176.175g/mol
Monoisotopic Mass	176.059g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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