AG001JGS

1444-12-8 | Methyl 1-methylindole-4-carboxylate

AG001JGS

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CAS Number	1444-12-8
Catalog Number	AG001JGS(AGN-PC-0NIWCM)
Chemical Name	Methyl 1-methylindole-4-carboxylate
IUPAC Name	methyl 1-methylindole-4-carboxylate
InChI	InChI=1S/C11H11NO2/c1-12-7-6-8-9(11(13)14-2)4-3-5-10(8)12/h3-7H,1-2H3
InChI Key	HVQOOSBDNRKUDW-UHFFFAOYSA-N
MDL Number	MFCD09839048
Molecular Formula	C11H11NO2
Molecular Weight	189.2105
SMILES	O=C(C1=CC=CC2=C1C=CN2C)OC
Synonyms	Methyl 1-methyl-1H-indole-4-carboxylate, 1444-12-8, Methyl 1-methylindole-4-carboxylate, Methyl 1-Methyl-4-indolecarboxylate, 1H-Indole-4-carboxylic acid, 1-methyl-, methyl ester, ACMC-209cso, SCHEMBL701556, CTK0B3162, DTXSID50496232, HVQOOSBDNRKUDW-UHFFFAOYSA-N, KS-00000Q0A, ANW-20854, MFCD09839048, ZINC39220402, AKOS006239305, methyl (N-methyl)-indole4-carboxylate, AS-8599, methyl (N-methyl)-indole-4-carboxylate, AJ-99183, AK-92821, CJ-19862, SY022480, ST2413219, TC-109599, 4CH-011739, CS-0042590, V3326, MFCD09839048 (95%), B-7258, 1-Methyl-1H-indole-4-carboxylic acid methyl ester, 1-Methyl-4-carbmethoxyindole, C11H11NO2, 17422-32-1,

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	0
Isotope Atom Count	0
Molecular Weight	189.214g/mol
Monoisotopic Mass	189.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	31.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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