AG000C9I

116350-38-0 | 1H-Indole-2-carboxylic acid, 6-hydroxy-, methyl ester

AG000C9I

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CAS Number	116350-38-0
Catalog Number	AG000C9I(AGN-PC-0N657T)
Chemical Name	1H-Indole-2-carboxylic acid, 6-hydroxy-, methyl ester
IUPAC Name	methyl 6-hydroxy-1H-indole-2-carboxylate
InChI	InChI=1S/C10H9NO3/c1-14-10(13)9-4-6-2-3-7(12)5-8(6)11-9/h2-5,11-12H,1H3
InChI Key	PFHGZEXEKZRMIP-UHFFFAOYSA-N
MDL Number	MFCD11053690
Molecular Formula	C10H9NO3
Molecular Weight	191.1834
SMILES	COC(=O)C=1NC2=CC(=CC=C2C1)O
Synonyms	Methyl 6-hydroxy-1H-indole-2-carboxylate, 116350-38-0, 6-Hydroxy-1H-indole-2-carboxylic acid methyl ester, 1H-Indole-2-carboxylic acid, 6-hydroxy-, methyl ester, 1H-Indole-2-carboxylicacid, 6-hydroxy-, methyl ester, ACMC-20admd, SCHEMBL2815266, CTK4A9756, DTXSID60441379, PFHGZEXEKZRMIP-UHFFFAOYSA-N, 2677AA, ANW-68579, methyl 6-hydroxyindole-2-carboxylate, MFCD11053690, SBB081566, ZINC31772032, AKOS000276624, MCULE-5358480402, WT82438, AJ-84315, AN-33116, AS-38178, DA-47681, AB0076824, RT-013859, FT-0764157, methyl 6-(hydroxy)-1H-indole-2-carboxylate, L-3122, 350H380, J-003427, F2158-0630, C10H9NO3, CID10535709, Methyl6-hydroxy-1H-indole-2-carboxylate,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.058g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	191.186g/mol
Monoisotopic Mass	191.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	62.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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