AG003Q17

778-82-5 | Ethyl 2-(1H-indol-3-yl)acetate

AG003Q17

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CAS Number	778-82-5
Catalog Number	AG003Q17(AGN-PC-0JKAYP)
Chemical Name	Ethyl 2-(1H-indol-3-yl)acetate
EC Number	212-296-0
IUPAC Name	ethyl 2-(1H-indol-3-yl)acetate
InChI	InChI=1S/C12H13NO2/c1-2-15-12(14)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,8,13H,2,7H2,1H3
InChI Key	HUDBDWIQSIGUDI-UHFFFAOYSA-N
MDL Number	MFCD00005635
Molecular Formula	C12H13NO2
Molecular Weight	203.2371
NSC Number	38002
SMILES	C1=CC=CC2=C1C(=C[NH]2)CC(OCC)=O
UNII	AOI4KJ3VH2
Synonyms	indole-3-acetic acid ethyl ester, Ethyl 3-indoleacetate, 778-82-5, ethyl 2-(1H-indol-3-yl)acetate, Indole-3-acetic acid ethyl ester, Ethyl indole-3-acetate, Ethyl indol-3-ylacetate, 1H-Indole-3-acetic acid, ethyl ester, Ethyl 1H-indol-3-ylacetate, INDOLE-3-ACETIC ACID, ETHYL ESTER, Ethyl beta-indolylacetate, NSC 38002, Ethyl3-indoleacetate, Ethyl 3-indolylacetate, EINECS 212-296-0, UNII-AOI4KJ3VH2, MFCD00005635, AOI4KJ3VH2, Ethyl .beta.-indolylacetate, BRN 0171682, Ethyl 3-indoleacetate, 99%, AI3-52421, HUDBDWIQSIGUDI-UHFFFAOYSA-N, 1H-Indole-3-acetic acid ethyl ester, IAA Ethyl Ester, ACMC-1BDSN, 3-Ethoxycarbonylmethylindole, ethyl (indol-3-yl)acetate, ethyl 2-indol-3-ylacetate, AC1L20YQ, AC1Q34PL, 5-22-03-00067 (Beilstein Handbook Reference), MLS000046040, SCHEMBL361312, CHEMBL232508, 1H-Indole-3-acetic acid ethyl, 3-Indoleacetic Acid Ethyl Ester, CTK5E5106, Ethyl indole-3-acetate, 98+%, KS-00000VWR, ZINC56627, 3-Indolylacetic Acid Ethyl Ester, DTXSID80228422, 3-Indolyl acetic acid-ethyl ester, HMS1646E14, HMS2453N05, ACT07016, BCP27185, NSC38002, ANW-37118, NSC-38002, 1H-Indole-3-aceticacid, ethyl ester, AKOS002143418, CCG-200260, CS-W015454, MCULE-8396851750, TRA0038143, VI30378, AC-25078, AJ-09343, AK-73083, AN-47597, BR-73083, CJ-00379, DS-15297, LS-82176, SC-47894, SMR000031649, ZB001745, (1H-Indol-3-yl)-acetic acid ethyl ester, AB0020910, DB-003640, TR-024928, E0878, EU-0063460, FT-0625779, ST24030444, ST45024146, V1939, I-1100, M-4497, SR-01000581432, I10-0464, SR-01000581432-1, 8FC0C3C9-3E4B-4BEE-9952-3F1C1BF172AB, InChI=1/C12H13NO2/c1-2-15-12(14)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,8,13H,2,7H2,1H, C12H13NO2, CID13067, C12-H13-N-O2, Ethyl 3-indoleacetate, 98% - 1G 1g, A15807, 348-10-7,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.095g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	203.241g/mol
Monoisotopic Mass	203.095g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number