AG003MUE

3471-31-6 | 2-(5-methoxy-1H-indol-3-yl)acetic acid

AG003MUE

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CAS Number	3471-31-6
Catalog Number	AG003MUE(AGN-PC-0JKEEZ)
Chemical Name	2-(5-methoxy-1H-indol-3-yl)acetic acid
EC Number	222-438-3
IUPAC Name	2-(5-methoxy-1H-indol-3-yl)acetic acid
InChI	InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)
InChI Key	COCNDHOPIHDTHK-UHFFFAOYSA-N
MDL Number	MFCD00005638
Molecular Formula	C11H11NO3
Molecular Weight	205.2099
SMILES	O=C(O)CC1=CNC2=C1C=C(OC)C=C2
Synonyms	5-methoxyindole-3-acetic acid, 5-methoxyindoleacetic acid, 5-Methoxyindole-3-acetic acid, 3471-31-6, 2-(5-methoxy-1H-indol-3-yl)acetic acid, 5-Methoxyindoleacetic acid, Methoxyindoleacetic acid, 5-Methoxy-3-indoleacetic acid, 5-Methoxyindol-3-ylacetic acid, (5-Methoxy-1H-indol-3-yl)acetic acid, 5-Methoxyindole-3-aceticacid, 5-Methoxyindoleacetate, 1H-Indole-3-acetic acid, 5-methoxy-, INDOLE-3-ACETIC ACID, 5-METHOXY-, EINECS 222-438-3, (5-Methoxy-1H-indol-3-yl)-acetic acid, COCNDHOPIHDTHK-UHFFFAOYSA-N, (5-methoxy-3-indolyl)-acetic acid, 5-Methoxy-1H-indole-3-acetic acid, MFCD00005638, 2-(5-methoxyindol-3-yl)acetic acid, Methoxyindoleacetate, MYI, PubChem7237, ACMC-1AIDE, 5-methoxy-indole acetate, 5-Methoxyindole-3-acetate, bmse000694, 5-Methoxyindol-3-ylacetate, AC1L2D7X, AC1Q4F1T, Oprea1_126132, KSC223A2L, MLS000515791, CHEMBL85433, SCHEMBL674415, 5-Methoxy-3-indolylacetic acid, 5-Methyloxyindole-3-acetic acid, CHEBI:28281, COCNDHOPIHDTHK-UHFFFAOYSA-, CTK1C3025, ZINC57162, DTXSID70188268, (5-methoxy-3-indolyl)acetic acid, (5-methoxyindol-3-yl)acetic acid, 5-methoxy-1H-3-indoleacetic acid, HMS2267B20, ACN-S002802, BCP27387, KS-00000G9D, ANW-27953, BBL100075, CM-732, Indole-3-acetic acid, 5- methoxy-, RW1258, SBB003497, STL220637, (5-Methoxy-indol-3-yl)-acetic acid, 1h-indole-3-acetic acid,5-methoxy-, 1H-Indole-3-aceticacid, 5-methoxy-, 2-(5-Methoxy-3-indolyl)acetic Acid, 2-(5-methoxyindole-3-yl)acetic acid, 5-Methoxy-3-indoleacetic acid, 98%, AKOS005207167, CS-W007566, FS-3050, MCULE-9997753194, RP26160, RTR-014355, TRA0000215, NCGC00247046-01, 142396-09-6, AC-22684, AJ-09617, AK-34778, BR-34778, LS-82188, SC-47848, SMR000112265, SY030412, 2-(5-methoxy-1H-indol-3-yl)ethanoic acid, AB0024371, AB1007116, DB-007074, TR-014355, 4CH-007320, A6095, AM20060864, FT-0080954, FT-0620571, M1303, ST24027578, ST45244467, W5632, EN300-39512, MFCD00005638 (97%), C05660, S-2561, 471M316, 5-Methoxy-3-indoleacetic acid, purum, >=99.0% (T), 50907E1A-6AC8-4D4D-8DE7-DD464A7A08C2, Z1238477770, InChI=1/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14), null, C11H11NO3, CID18986, C11-H11-N-O3, M-3474, 5-Methoxyindole-3-acetic acid, 98% - 1G 1g, C001736,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	205.213g/mol
Monoisotopic Mass	205.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number