AG0012FO

136831-13-5 | 1H-Indole-2-carboxylic acid, 4-Methyl-, Methyl ester

AG0012FO

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CAS Number	136831-13-5
Catalog Number	AG0012FO(AGN-PC-0LFZ54)
Chemical Name	1H-Indole-2-carboxylic acid, 4-Methyl-, Methyl ester
IUPAC Name	methyl 4-methyl-1H-indole-2-carboxylate
InChI	InChI=1S/C11H11NO2/c1-7-4-3-5-9-8(7)6-10(12-9)11(13)14-2/h3-6,12H,1-2H3
InChI Key	JQTOCKRAYJKZOI-UHFFFAOYSA-N
MDL Number	MFCD04966966
Molecular Formula	C11H11NO2
Molecular Weight	189.2105
SMILES	COC(=O)C1=CC2=C(N1)C=CC=C2C
Synonyms	methyl 4-methyl-1H-indole-2-carboxylate, 136831-13-5, methyl 4-methylindole-2-carboxylate, 4-Methyl-1H-indole-2-carboxylic acid methyl ester, 1H-Indole-2-carboxylic acid, 4-methyl-, methyl ester, AC1NFWDL, PubChem23574, SCHEMBL2134591, CTK6I9563, DTXSID40405797, JQTOCKRAYJKZOI-UHFFFAOYSA-N, Methyl4-Methylindole-2-carboxylate, KS-00000BW0, ZINC2534081, 6522AA, ANW-70563, BBL020582, MFCD04966966, SBB090953, STK893271, AKOS000123960, AS-5464, MCULE-6248728168, AJ-38587, DA-45594, SY034645, AB0001751, TR-072110, CS-0054250, FT-0761091, H8167, ST24025378, MFCD04966966 (95%), M57057, Z210762276, C11H11NO2, ZINC02534081, CID4714967, Methyl4-methyl-1H-indole-2-carboxylate, 16732-80-2,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.079g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	189.214g/mol
Monoisotopic Mass	189.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

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

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