AG003EH6

32387-21-6 | 1-​Methyl-​1H-​indole-​3-​carboxylic acid

AG003EH6

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CAS Number	32387-21-6
Catalog Number	AG003EH6(AGN-PC-0JX29N)
Chemical Name	1-​Methyl-​1H-​indole-​3-​carboxylic acid
IUPAC Name	1-methylindole-3-carboxylic acid
InChI	InChI=1S/C10H9NO2/c1-11-6-8(10(12)13)7-4-2-3-5-9(7)11/h2-6H,1H3,(H,12,13)
InChI Key	HVRCLXXJIQTXHC-UHFFFAOYSA-N
MDL Number	MFCD01321244
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	O=C(O)c1cn(c2ccccc12)C
Synonyms	32387-21-6, 1-Methylindole-3-carboxylic acid, 1-Methyl-1H-Indole-3-Carboxylic Acid, 1-Methyl-3-indolecarboxylic acid, 1H-Indole-3-carboxylic acid, 1-methyl-, 1-methyl-1H-indole-3- carboxylic acid, 1-Methylindole-3-carboxylicacid, N-methylindole-3-carboxylic acid, 1-Methylindole-3-carboxylic acid, 97%, Bionet2_001079, PubChem7285, Ramosetron Impurity 7, AC1LGYTC, ACMC-209hsw, AC1Q3YR6, SCHEMBL535878, IND022, Jsp005986, CHEMBL1650259, CTK1C2250, KS-00000CCE, 1-methylindole-3-carboxilic acid, DTXSID70357533, 1-methyl-3-indolylcarboxylic acid, HVRCLXXJIQTXHC-UHFFFAOYSA-N, HMS1367B01, ZINC403141, ACN-S004090, ACT06919, ALBB-015500, BCP26624, ANW-27342, BBL010561, CM-328, MFCD01321244, SBB063806, STK721128, AKOS000262942, AC-2857, CS-W017453, MCULE-1385678671, RP23715, RTR-013624, TRA0035853, VI30127, 1-methyl-1-H-indole-3-carboxylic acid, 1H-Indole-3-carboxylicacid, 1-methyl-, AJ-21949, AN-13523, BR-47525, Q349, SC-03461, ST098359, SY003132, 1-METHYL INDOLE-3-CARBOXYLIC ACID, AB0017537, AB1001531, DB-003191, TR-013624, AM20050442, FT-0639019, ST24032229, M-4052, M-7542, MFCD01321244 (97+%), 7T-1500, I01-2960, null, C10H9NO2, CID854040,

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	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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