AG0084XZ

10590-73-5 | 3-Methyl-1H-indole-2-carboxylic acid

AG0084XZ

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CAS Number	10590-73-5
Catalog Number	AG0084XZ(AGN-PC-0KKIUL)
Chemical Name	3-Methyl-1H-indole-2-carboxylic acid
IUPAC Name	3-methyl-1H-indole-2-carboxylic acid
InChI	InChI=1S/C10H9NO2/c1-6-7-4-2-3-5-8(7)11-9(6)10(12)13/h2-5,11H,1H3,(H,12,13)
InChI Key	NCXGWFIXUJHVLI-UHFFFAOYSA-N
MDL Number	MFCD01652241
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	O=C(C(N1)=C(C)C2=C1C=CC=C2)O
Synonyms	3-Methyl-1H-indole-2-carboxylic acid, 10590-73-5, 3-Methylindole-2-carboxylic acid, 3-Methyl-2-indolic acid, 1H-Indole-2-carboxylic acid, 3-methyl-, 1H-Indole-2-carboxylicacid, 3-methyl-, AK126209, Methylindolcarbonsaure, AC1MBLJK, BAS 10155972, SCHEMBL2399274, CHEBI:85902, CTK0H4209, DTXSID50372921, NCXGWFIXUJHVLI-UHFFFAOYSA-N, ALBB-007631, ZINC3847691, ZX-AN007140, ZX-CM014673, 8267AC, FCH843713, MFCD01652241, STK501628, AKOS003617243, DS-5079, MCULE-7311271488, SB15198, AJ-45869, AB0084857, AX8087904, TR-001205, BB 0220630, FT-0677727, M57179, W-8488, 3-Methyl-1H-indole-2-carboxylic acid, AldrichCPR, I04-4488, C10H9NO2, CID2752638,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	175.187g/mol
Monoisotopic Mass	175.063g/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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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