AG008M1Y

787580-93-2 | 3-Oxo-2，3-dihydro-1H-indazole-5-carboxylic acid

AG008M1Y

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CAS Number	787580-93-2
Catalog Number	AG008M1Y(AGN-PC-04Q59P)
Chemical Name	3-Oxo-2，3-dihydro-1H-indazole-5-carboxylic acid
IUPAC Name	3-oxo-1,2-dihydroindazole-5-carboxylic acid
InChI	InChI=1S/C8H6N2O3/c11-7-5-3-4(8(12)13)1-2-6(5)9-10-7/h1-3H,(H,12,13)(H2,9,10,11)
InChI Key	JAPGBCYHMJSRNG-UHFFFAOYSA-N
MDL Number	MFCD07781586
Molecular Formula	C8H6N2O3
Molecular Weight	178.1448
SMILES	O=C(C1=CC2=C(NNC2=O)C=C1)O
Synonyms	787580-93-2, 3-Oxo-2,3-dihydro-1H-indazole-5-carboxylic acid, 3-Hydroxy-1H-indazole-5-carboxylic acid, 3-Hydroxy-5-(1H)indazole carboxylic acid, 1H-Indazole-5-carboxylicacid, 2,3-dihydro-3-oxo-, SCHEMBL2671070, CTK2H6237, KS-00000NMW, DTXSID30646258, JAPGBCYHMJSRNG-UHFFFAOYSA-N, MFCD07781586, AKOS000320324, AKOS027196374, ZINC100090998, DS-6793, MB04876, AK139884, CS-0085363, FT-0766541, W-3040, 3-OXO-1,2-DIHYDROINDAZOLE-5-CARBOXYLIC ACID, Z2160914636, 3-HYDROXY-5-(1H)INDAZOLECARBOXYLICACID, 1H-Indazole-5-carboxylic acid, 2,3-dihydro-3-oxo-,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	178.147g/mol
Monoisotopic Mass	178.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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