AG001SEU

16136-58-6 | 1H-Indole-2-carboxylic acid, 1-methyl-

AG001SEU

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CAS Number	16136-58-6
Catalog Number	AG001SEU(AGN-PC-0WA4O2)
Chemical Name	1H-Indole-2-carboxylic acid, 1-methyl-
IUPAC Name	1-methylindole-2-carboxylic acid
InChI	InChI=1S/C10H9NO2/c1-11-8-5-3-2-4-7(8)6-9(11)10(12)13/h2-6H,1H3,(H,12,13)
InChI Key	MAHAMBLNIDMREX-UHFFFAOYSA-N
MDL Number	MFCD00005801
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
NSC Number	68357
SMILES	C1=CC=CC2=C1[N](C)C(=C2)C(O)=O
Synonyms	1-Methyl-1H-indole-2-carboxylic acid, 16136-58-6, 1-Methylindole-2-carboxylic acid, 1H-INDOLE-2-CARBOXYLIC ACID, 1-METHYL-, 1-Methyl-2-indolecarboxylic acid, Indole-2-carboxylic acid, 1-methyl-, BRN 0007274, CHEMBL36834, MAHAMBLNIDMREX-UHFFFAOYSA-N, NSC68357, N-Methylindolcarbonsaure, PubChem20609, ACMC-1BPRU, AC1L1DRG, ChemDiv3_011259, AC1Q3XM1, 5-22-03-00015 (Beilstein Handbook Reference), SCHEMBL117186, MAHAMBLNIDMREX-UHFFFAOYSA-, N-methylindole-2-carboxylic acid, DTXSID60167123, HMS1504P17, ZINC142380, (N-methyl)indole-2-carboxylic acid, 1-methyl-1H-indole carboxylic acid, ALBB-007751, KS-00000G6K, 1-methyl-1H-2-indolecarboxylic acid, ANW-21929, BBL037008, BDBM50424778, CM-234, MFCD00005801, NSC-68357, SBB049025, STK120292, 1-methyl-1H-indol-2-carboxylic acid, AKOS000262610, CG-0519, CS-W007740, MCULE-7606431397, RP23712, TRA0002698, VI30129, IDI1_028817, 1-Methylindole-2-carboxylic acid, 98%, AC-22708, AJ-12459, AK-29896, BR-29896, K962, LS-82730, ST039851, AB0014458, DB-027144, TR-006872, 4CH-007280, AM20060408, BB 0220035, EU-0015870, FT-0637326, M1519, ST24027114, EN300-51846, M-4050, S-1864, 136M586, A810257, CS-007/03901012, I01-2957, F0919-4682, InChI=1/C10H9NO2/c1-11-8-5-3-2-4-7(8)6-9(11)10(12)13/h2-6H,1H3,(H,12,13), 6-Bromoindole, C10H9NO2, C10-H9-N-O2, CID27695, 1-Methyl-1H-indole-2-carboxylicacid, 52415-29-9,

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	1
Isotope Atom Count	0
Molecular Weight	175.187g/mol
Monoisotopic Mass	175.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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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