AG004F4G

885519-98-2 | 3-Formyl-1H-indazole-5-carboxylic acid

AG004F4G

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CAS Number	885519-98-2
Catalog Number	AG004F4G(AGN-PC-0WAJ1P)
Chemical Name	3-Formyl-1H-indazole-5-carboxylic acid
IUPAC Name	3-formyl-2H-indazole-5-carboxylic acid
InChI	InChI=1S/C9H6N2O3/c12-4-8-6-3-5(9(13)14)1-2-7(6)10-11-8/h1-4H,(H,10,11)(H,13,14)
InChI Key	MAPWHWRNFRJKFI-UHFFFAOYSA-N
MDL Number	MFCD06656900
Molecular Formula	C9H6N2O3
Molecular Weight	190.1555
SMILES	O=C(C1=CC2=C(NN=C2C=O)C=C1)O
Synonyms	3-Formyl-1H-indazole-5-carboxylic acid, 885519-98-2, 3-formyl-2H-indazole-5-carboxylic acid, 1H-Indazole-5-carboxylic acid, 3-formyl-, SCHEMBL4500958, CTK8C4892, DTXSID80626181, MAPWHWRNFRJKFI-UHFFFAOYSA-N, 4338AC, ANW-73443, MFCD06656900, ZINC14984574, AKOS006294108, 1H-Indazole-5-carboxylicacid,3-forMyl-, AJ-66158, AK-64283, DS-15405, QC-10600, SC-86897, AB0098155, TC-162188, CS-0042819, FT-0753360, 3-formyl-5-indazolecarboxylic acid, AldrichCPR, L-1396, I10-0260, C9H6N2O3,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.038g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	190.158g/mol
Monoisotopic Mass	190.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	83A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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