AG000ZKB

131666-74-5 | 1H-Indazole-3-acetic acid, Methyl ester

AG000ZKB

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CAS Number	131666-74-5
Catalog Number	AG000ZKB(AGN-PC-0O10E6)
Chemical Name	1H-Indazole-3-acetic acid, Methyl ester
IUPAC Name	methyl 2-(2H-indazol-3-yl)acetate
InChI	InChI=1S/C10H10N2O2/c1-14-10(13)6-9-7-4-2-3-5-8(7)11-12-9/h2-5H,6H2,1H3,(H,11,12)
InChI Key	GJIMTGCSEXYRCB-UHFFFAOYSA-N
MDL Number	MFCD20527514
Molecular Formula	C10H10N2O2
Molecular Weight	190.1986
SMILES	O=C(OC)CC1=NNC2=C1C=CC=C2
Synonyms	Methyl 2-(1H-indazol-3-yl)acetate, 131666-74-5, 1H-Indazole-3-acetic acid, methyl ester, Methyl (2H-indazol-3-yl)acetate, Methyl 1H-indazole-3-acetate, SCHEMBL4300704, Methyl 1H-Indazole-3-ylacetate, KS-00000RBI, DTXSID30560586, methyl-1-H-indazole-3-ylacetate, GJIMTGCSEXYRCB-UHFFFAOYSA-N, Methyl 2-(1H-indazol-3yl)acetate, methyl 2-(2H-indazol-3-yl)acetate, MFCD20527514, ZINC34301757, AKOS016013875, CS-W022776, DS-5560, 1H-Indazole-3-acetic acid methyl ester, AJ-87872, AK127514, ST2407102, 4CH-017405, FT-0688796,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.074g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.202g/mol
Monoisotopic Mass	190.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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