AG00ECF3

65417-22-3 | Methyl2-methyl-1H-indole-3-carboxylate

AG00ECF3

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CAS Number	65417-22-3
Catalog Number	AG00ECF3(AGN-PC-0JTGYZ)
Chemical Name	Methyl2-methyl-1H-indole-3-carboxylate
IUPAC Name	methyl 2-methyl-1H-indole-3-carboxylate
InChI	InChI=1S/C11H11NO2/c1-7-10(11(13)14-2)8-5-3-4-6-9(8)12-7/h3-6,12H,1-2H3
InChI Key	WQBPRTUBQKFRKZ-UHFFFAOYSA-N
MDL Number	MFCD00963961
Molecular Formula	C11H11NO2
Molecular Weight	189.2105
SMILES	O=C(C1=C(C)NC2=C1C=CC=C2)OC
Synonyms	Methyl 2-methyl-1H-indole-3-carboxylate, 65417-22-3, 2-Methyl-1H-indole-3-carboxylic acid methyl ester, 2-Methyl-3-methoxycarbonylindole, WQBPRTUBQKFRKZ-UHFFFAOYSA-N, Methyl 2-methyl-indole-3-carboxylate, AC1LC4G3, MLS004836653, SCHEMBL6216675, 3-methoxycarbonyl-2-methylindole, CTK1J6938, DTXSID90344061, KUC108714N, CS-M3036, ZINC5378272, 3822AH, MFCD00963961, AKOS006240841, DS-7351, KSC-09-242, Methyl2-Methyl-1H-indole-3-carboxylate, AJ-53936, AK141901, SMR003533424, Methyl 2-methyl-1H-indole-3-carboxylate #, ST24047725, M57019, 1H-Indole-3-carboxylic acid, 2-methyl-, methyl ester, C11H11NO2, CID594174, 1060804-57-0,

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	2.3

GHS Hazard and Precautionary Statements

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

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