AG006YIP

50536-49-7 | 1H-Indole-2-carboxylicacid, 4,5-dimethoxy-

AG006YIP

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CAS Number	50536-49-7
Catalog Number	AG006YIP(AGN-PC-0JXWM1)
Chemical Name	1H-Indole-2-carboxylicacid, 4,5-dimethoxy-
IUPAC Name	4,5-dimethoxy-1H-indole-2-carboxylic acid
InChI	InChI=1S/C11H11NO4/c1-15-9-4-3-7-6(10(9)16-2)5-8(12-7)11(13)14/h3-5,12H,1-2H3,(H,13,14)
InChI Key	OJLHCDSLZDJBKE-UHFFFAOYSA-N
MDL Number	MFCD02664472
Molecular Formula	C11H11NO4
Molecular Weight	221.2093
SMILES	COc1c(OC)ccc2c1cc([nH]2)C(=O)O
Synonyms	4,5-Dimethoxy-1H-indole-2-carboxylic acid, 50536-49-7, 1H-Indole-2-carboxylic acid, 4,5-dimethoxy-, 1H-Indole-2-carboxylicacid, 4,5-dimethoxy-, OJLHCDSLZDJBKE-UHFFFAOYSA-N, 4,5-dimethoxyindole-2-carboxylic acid, ZERO/005173, AC1LIN1T, AC1Q4DVO, AC1Q5UPA, SCHEMBL6240318, CTK1G9227, KS-00001LZY, DTXSID50358644, ZINC489270, ALBB-014460, 4455AE, BBL012774, MFCD02664472, SBB011458, STK776280, AKOS000505599, ACN-048472, MCULE-5826995315, RS-0332, BAS 10142217, AB0216087, ST4105063, TR-044169, BB 0220512, R6043, EN300-15090, SR-01000326715, SR-01000326715-1, C11H11NO4, AR-1C3634, CID907346, 5089-76-9,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.069g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	221.212g/mol
Monoisotopic Mass	221.069g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	71.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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