AG00CN4I

354587-63-6 | 1-tert-Butyl 6-methyl 1H-indole-1,6-dicarboxylate

AG00CN4I

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CAS Number	354587-63-6
Catalog Number	AG00CN4I(AGN-PC-030BQU)
Chemical Name	1-tert-Butyl 6-methyl 1H-indole-1,6-dicarboxylate
IUPAC Name	1-O-tert-butyl 6-O-methyl indole-1,6-dicarboxylate
InChI	InChI=1S/C15H17NO4/c1-15(2,3)20-14(18)16-8-7-10-5-6-11(9-12(10)16)13(17)19-4/h5-9H,1-4H3
InChI Key	IYYAAIGPQOLNLY-UHFFFAOYSA-N
MDL Number	MFCD11109853
Molecular Formula	C15H17NO4
Molecular Weight	275.2998
SMILES	O=C(OC(C)(C)C)N2(C1(=C(C=CC(=C1)C(=O)OC)C=C2))
Synonyms	957127-83-2, N-Boc-1H-Indole-6-carboxylic acid methyl ester, 1-tert-Butyl 6-methyl 1H-indole-1,6-dicarboxylate, 354587-63-6, AK-25202, 1-tert-butyl 6-methyl indole-1,6-dicarboxylate, SCHEMBL1623467, CTK8B5829, DTXSID30609944, IYYAAIGPQOLNLY-UHFFFAOYSA-N, KS-000019LN, KS-000024KC, ANW-50325, MFCD11109853, ZINC40448934, AKOS015851401, DS-0445, RP29723, KS-000005B2, AK104058, BR-25202, AB0027873, AJ-103113, AX8159686, AX8235597, TR-030051, 4CH-008415, CS-0060912, FT-0765655, ST24027169, W9768, S-5321, 1-Boc-1H-indole-6-carboxylic acid methyl ester, 1-tert-butyl-6-methyl-1H-indole-1,6-dicarboxylate, J-523491, 1-tert-Butyl 6-methyl 1H-indole-1,6- dicarboxylate, 1H-Indole-1,6-dicarboxylic acid 1-tert-butyl 6-methyl ester, indole-1,6-dicarboxylic acid 1-tert-butyl ester 6-methyl ester, 1-[(1,1-dimethylethoxy)carbonyl]-1H-indole-6-carboxylic acid methyl ester, 1H-Indole-6-carboxylicacid, 1-(2,2-dimethyl-1-oxopropyl)-, methyl ester, 1-Tert-butyl 6-methyl indoline-1,6-dicarboxylate, C15H17NO4, 1220039-51-9, 1-O-tert-butyl 6-O-methyl indole-1,6-dicarboxylate, 928771-49-7,

Complexity	388
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.116g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	275.304g/mol
Monoisotopic Mass	275.116g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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