AG003EIE

167479-16-5 | 1-methyl-1H-indole-7-carboxylic acid

AG003EIE

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CAS Number	167479-16-5
Catalog Number	AG003EIE(AGN-PC-01VDFE)
Chemical Name	1-methyl-1H-indole-7-carboxylic acid
IUPAC Name	1-methylindole-7-carboxylic acid
InChI	InChI=1S/C10H9NO2/c1-11-6-5-7-3-2-4-8(9(7)11)10(12)13/h2-6H,1H3,(H,12,13)
InChI Key	DWKIPLIDZYRILV-UHFFFAOYSA-N
MDL Number	MFCD09879957
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	CN1C=CC2=C1C(=CC=C2)C(O)=O
Synonyms	167479-16-5, 1-methyl-1H-indole-7-carboxylic acid, 1-Methyl-7-indolecarboxylic Acid, 1-methylindole-7-carboxylic acid, 1H-Indole-7-carboxylicacid, 1-methyl-, SCHEMBL932002, 1-Methyl-7-indolecarboxylicAcid, CTK0H0938, KS-00000CUJ, DTXSID70593353, DWKIPLIDZYRILV-UHFFFAOYSA-N, 8540AA, MFCD09879957, SBB089024, ZINC12370798, AKOS006282358, TRA0003838, 1H-Indole-7-carboxylic acid, 1-methyl-, AJ-61874, AM803304, AS-31674, SC-91521, SY022489, DB-064649, TC-306741, 1-Methyl-1H-indole-7-carboxylic acid,97%, CS-0038765, FT-0726779, Z-4710, MFCD09879957 (97+%), 1-methyl-1H-indole-7-carboxylic acid, AldrichCPR, I14-62166, C10H9NO2, 1H-Indole-7-carboxylicacid,1-methyl-, 664364-60-7,

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	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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