AG003S0K

18372-22-0 | Methyl 2-(1H-indol-3-yl)-2-oxoacetate

AG003S0K

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CAS Number	18372-22-0
Catalog Number	AG003S0K(AGN-PC-0JGU3N)
Chemical Name	Methyl 2-(1H-indol-3-yl)-2-oxoacetate
IUPAC Name	methyl 2-(1H-indol-3-yl)-2-oxoacetate
InChI	InChI=1S/C11H9NO3/c1-15-11(14)10(13)8-6-12-9-5-3-2-4-7(8)9/h2-6,12H,1H3
InChI Key	VFIJGAWYVXDYLK-UHFFFAOYSA-N
MDL Number	MFCD00047173
Molecular Formula	C11H9NO3
Molecular Weight	203.1941
SMILES	O=C(OC)C(C1=CNC2=C1C=CC=C2)=O
Synonyms	18372-22-0, Methyl 3-indoleglyoxylate, methyl 2-(1H-indol-3-yl)-2-oxoacetate, Methyl indolyl-3-glyoxylate, Indole-3-glyoxylic acid methyl ester, Methyl 1H-indol-3-yl(oxo)acetate, VFIJGAWYVXDYLK-UHFFFAOYSA-N, (1H-Indol-3-yl)-oxo-acetic acid methyl ester, AC1LBTXY, PubChem18402, methyl 3-indolylglyoxylate, CBMicro_025140, Methyl Indol-3-Glyoxylate, Methyl indoyl-3-glyoxylate, methyl 3- indolylglyoxylate, KSC915M4J, SCHEMBL729076, indole-3-glyoxylic methyl ester, Jsp003769, CTK8B5644, KS-00000KEG, Methyl 3-indoleglyoxylate, 98%, DTXSID60343309, methyl (1H-indol-3-yl)glyoxalate, methyl 2-indol-3-yl-2-oxoacetate, ALBB-014239, CS-B0429, ZINC2169007, ANW-49417, CCG-12090, CM-744, Methyl 2-(3-Indolyl)-2-oxoacetate, MFCD00047173, INDOLE-3-GLYOXYLIC METHYLESTER, Methyl 1H-indol-3-yl(oxo)acetate #, 3-indole glyoxylic acid, methyl ester, AKOS000583135, Indole-3-glyoxylic acid, methyl ester, AC-2263, AN-3184, DS-1920, FS-3520, MCULE-5250471628, RP26023, SB15034, TRA0019348, VI30413, 2-(3-indolyl)oxoacetic acid methyl ester, AJ-33924, AK-39365, BAS 00654949, CJ-07890, S956, SC-23782, SY058558, BIM-0025047.P001, AB0000296, AB1006424, methyl 2-(1H-indol-3-yl)-2-oxo-acetate, ST2419480, TL8006243, TR-008481, AM20050438, EU-0001423, FT-0628741, ST45004779, MFCD00047173 (97%), A-5804, I-2810, alpha-Oxo-1H-indole-3-acetic acid methyl ester, 2-(1H-indol-3-yl)-2-oxoacetic acid methyl ester, 372M220, A812812, SR-01000399285, 1H-indole-3-acetic acid, alpha-oxo-, methyl ester, I10-0295, SR-01000399285-1, methyl 2-(1H-indol-3-yl)-2-oxidanylidene-ethanoate, Indole-3-glyoxylic acid methyl ester|||Methyl (indol-3-yl)oxoacetate, null, C11H9NO3, CID588944, ZINC02169007,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.058g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	203.197g/mol
Monoisotopic Mass	203.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	59.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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