AG001KY3

14844-73-6 | 1H-Indole-5-carboxylic acid, 2,3-dimethyl-

AG001KY3

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CAS Number	14844-73-6
Catalog Number	AG001KY3(AGN-PC-0JV162)
Chemical Name	1H-Indole-5-carboxylic acid, 2,3-dimethyl-
IUPAC Name	2,3-dimethyl-1H-indole-5-carboxylic acid
InChI	InChI=1S/C11H11NO2/c1-6-7(2)12-10-4-3-8(11(13)14)5-9(6)10/h3-5,12H,1-2H3,(H,13,14)
InChI Key	KHJGIMZYCBPOBG-UHFFFAOYSA-N
MDL Number	MFCD00464053
Molecular Formula	C11H11NO2
Molecular Weight	189.2105
SMILES	O=C(C1=CC2=C(NC(C)=C2C)C=C1)O
Synonyms	2,3-Dimethyl-1H-indole-5-carboxylic acid, 14844-73-6, 1H-indole-5-carboxylic acid, 2,3-dimethyl-, EC-000.1562, 2,3-dimethylindole-5-carboxylic acid, MLS000067403, AC1Q5TTG, ChemDiv3_011612, AC1LEW78, AC1Q2E1L, Oprea1_064043, Oprea1_332000, AC1Q2E93, SCHEMBL1586810, CHEMBL1345103, CTK0I2237, ZINC65359, DTXSID40351225, KHJGIMZYCBPOBG-UHFFFAOYSA-N, HMS1505P18, HMS2488M07, 5-Carboxy-2,3-dimethyl-1H-indole, 7392AA, ANW-57073, BBL010657, MFCD00464053, SBB027444, STK386840, AKOS000112817, 2,3-Dimethyl-indole-5-carboxylic acid, CCG-142808, MCULE-9631164195, IDI1_029170, AJ-10167, BAS 10156862, BS-13887, SC-48555, SMR000124855, 1H-Indole-5-carboxylicacid,2,3-dimethyl-, AB0153186, DB-027720, ST2415691, TR-005967, 1H-Indole-5-carboxylicacid, 2,3-dimethyl-, BB 0218141, FT-0677066, ST45174919, EN300-08907, VU0161873-4, W-7107, SR-01000399671, I04-4645, SR-01000399671-1, 2,3 - Dimethyl - 1H - indole - 5 - carboxylic acid, 2,3-Dimethyl-1H-indole-5-carboxylic acid, AldrichCPR, F3099-7257, C11H11NO2, AR-1D2667, CID693386, 14900-44-8,

Complexity	241
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	2
Isotope Atom Count	0
Molecular Weight	189.214g/mol
Monoisotopic Mass	189.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.1A^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	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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