AG0059UL

7588-36-5 | Methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate

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CAS Number	7588-36-5
Catalog Number	AG0059UL(AGN-PC-0JLTNY)
Chemical Name	Methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate
EC Number	231-497-4
IUPAC Name	methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate
InChI	InChI=1S/C13H15NO3/c1-8-10(7-13(15)17-3)11-6-9(16-2)4-5-12(11)14-8/h4-6,14H,7H2,1-3H3
InChI Key	JYUNCKSXPPDNRM-UHFFFAOYSA-N
MDL Number	MFCD00218549
Molecular Formula	C13H15NO3
Molecular Weight	233.2631
SMILES	O=C(OC)CC1=C(C)NC2=C1C=C(OC)C=C2
Synonyms	7588-36-5, methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate, Methyl 5-methoxy-2-methyl-1H-indole-3-acetate, 1H-Indole-3-acetic acid, 5-methoxy-2-methyl-, methyl ester, Indole-3-acetic acid, 5-methoxy-2-methyl-, methyl ester, JYUNCKSXPPDNRM-UHFFFAOYSA-N, AK174203, EINECS 231-497-4, AC1L32OF, AC1Q5ZV7, Oprea1_567770, SCHEMBL6825151, CTK5E2146, DTXSID40226782, ZINC134584, AC1Q4408, KS-00000T3K, MFCD00218549, AKOS015851515, DS-8672, Methyl 5-Methoxy-2-methylindole-3-acetate, methyl 5-methoxy-2-methyl-3-indolylacetate, methyl-5-methoxy-2-methyl-3-indolylacetate, TC-010505, CS-0041770, FT-0671919, methyl [5-methoxy-2-methyl-indol-3-yl]-acetate, M034852, Methyl (5-methoxy-2-methyl-1H-indol-3-yl)acetate, methyl2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate, Methyl (5-methoxy-2-methyl-1H-indol-3-yl)acetate #, 5-methoxy-2-methyl-1h-indole-3-acetic acid methyl ester, methyl [2-methyl-5-(methyloxy)-1h-indol-3-yl]acetate, Methyl ester of 2-Methyl-5-methoxyindole-3-acetic acid, 1H-Indole-3-aceticacid, 5-methoxy-2-methyl-, methyl ester, 2-Methyl-5-methoxy-1H-indole-3-acetic acid methyl ester, 5-Methoxy-2-methyl-1H-indole-3-acetic Acid Methyl Mster, CID82067, AR-1J2378, C13-H15-N-O3, ZINC00134584, methyl5-methoxy-2-methyl-1H-indole-3-acetate, 79965-09-6,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.105g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	233.267g/mol
Monoisotopic Mass	233.105g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	51.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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