AG001FHB

1481631-51-9 | 1H-Indole-1-carboxylic acid, 4-formyl-5-methoxy-7-methyl-, 1,1-dimethylethyl ester

AG001FHB

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CAS Number	1481631-51-9
Catalog Number	AG001FHB(AGN-PC-0WR442)
Chemical Name	1H-Indole-1-carboxylic acid, 4-formyl-5-methoxy-7-methyl-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate
InChI	InChI=1S/C16H19NO4/c1-10-8-13(20-5)12(9-18)11-6-7-17(14(10)11)15(19)21-16(2,3)4/h6-9H,1-5H3
InChI Key	GCQVVLKDJOMDOY-UHFFFAOYSA-N
MDL Number	MFCD30609524
Molecular Formula	C16H19NO4
Molecular Weight	289.3264
SMILES	C(=O)C1=C2C=CN(C2=C(C=C1OC)C)C(=O)OC(C)(C)C
Synonyms	1481631-51-9, tert-Butyl 4-formyl-5-methoxy-7-methyl-1H-indole-1-carboxylate, SCHEMBL15366130, GCQVVLKDJOMDOY-UHFFFAOYSA-N, AKOS030633037, ZINC145369034, CS-W020158, KS-00000U76, AK671027, AS-48632, tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate, 1H-Indole-1-carboxylic acid, 4-formyl-5-methoxy-7-methyl-, 1,1-dimethylethyl ester, ACN-040446, 5-methoxy-7-methyl-t-Boc-1H-indole-4-carbaldehyde,

Complexity	404
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	289.131g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	289.331g/mol
Monoisotopic Mass	289.131g/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 statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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