AG007AX8

1093759-59-1 | tert-Butyl 4-methoxy-1H-indole-1-carboxylate

AG007AX8

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CAS Number	1093759-59-1
Catalog Number	AG007AX8(AGN-PC-086E6N)
Chemical Name	tert-Butyl 4-methoxy-1H-indole-1-carboxylate
IUPAC Name	tert-butyl 4-methoxyindole-1-carboxylate
InChI	InChI=1S/C14H17NO3/c1-14(2,3)18-13(16)15-9-8-10-11(15)6-5-7-12(10)17-4/h5-9H,1-4H3
InChI Key	DNCPOYDMSDZLSB-UHFFFAOYSA-N
MDL Number	MFCD09834877
Molecular Formula	C14H17NO3
Molecular Weight	247.2897
SMILES	COC1=CC=CC2=C1C=CN2C(=O)OC(C)(C)C
Synonyms	tert-Butyl 4-methoxy-1H-indole-1-carboxylate, 1093759-59-1, N-BOC-4-METHOXYINDOLE, AK104837, 4-Methoxy-1H-indole-1-carboxylic acid tert-butyl ester, SCHEMBL8211914, CTK8C4012, KS-00000QOT, DTXSID90677962, CS-M0034, ANW-70945, MFCD09834877, ZINC40442654, AKOS016008051, t-Butyl 4-methoxyindole-1-carboxylate, DS-4404, FCH1627018, tert-butyl 4-methoxyindole-1-carboxylate, AJ-102323, AX8239045, TC-159690, 2-Methyl-2-propanyl 4-methoxy-1H-indole-1-carboxylate, tert-Butyl4-methoxy-1H-indole-1-carboxylate, 5192-03-0,

Complexity	311
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.121g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	247.294g/mol
Monoisotopic Mass	247.121g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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