AG001UES

16381-50-3 | 5-Methoxy-3-methyl-1H-indole-2-carboxylic Acid

AG001UES

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CAS Number	16381-50-3
Catalog Number	AG001UES(AGN-PC-0JWZ25)
Chemical Name	5-Methoxy-3-methyl-1H-indole-2-carboxylic Acid
IUPAC Name	5-methoxy-3-methyl-1H-indole-2-carboxylic acid
InChI	InChI=1S/C11H11NO3/c1-6-8-5-7(15-2)3-4-9(8)12-10(6)11(13)14/h3-5,12H,1-2H3,(H,13,14)
InChI Key	CPXMQDRGVOOXSQ-UHFFFAOYSA-N
MDL Number	MFCD03848040
Molecular Formula	C11H11NO3
Molecular Weight	205.2099
SMILES	C1(C(O)=O)=C(C)C2C(=CC=C(OC)C=2)N1
Synonyms	5-Methoxy-3-methyl-1H-indole-2-carboxylic acid, 16381-50-3, 5-methoxy-3-methylindole-2-carboxylic acid, BAS 08767155, AC1LI3ZQ, SCHEMBL2396662, CTK0G9468, DTXSID80357246, CPXMQDRGVOOXSQ-UHFFFAOYSA-N, ZINC382879, ALBB-007635, BB_NC-00826, ZX-AN007143, ZX-CM002792, 5260AD, BBL013293, MFCD03848040, STK504674, AKOS000558614, MCULE-7312051425, AJ-20358, AS-42835, SC-29369, AB0085081, TR-007035, BB 0260627, FT-0671270, ST50321070, Y-0902, 5-Methoxy-3-methyl-1H-indole-1-carboxylic acid, 1H-Indole-2-carboxylicacid, 5-methoxy-3-methyl-, 1H-Indole-2-carboxylic acid, 5-methoxy-3-methyl-, I04-5093, 5-Methoxy-3-methyl-1H-indole-2-carboxylic acid, AldrichCPR, C11H11NO3, 1-(2-Aminoethyl)pyrrolidin-2-one, CID848534,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	205.213g/mol
Monoisotopic Mass	205.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	62.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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