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1481631-51-9 | 1H-Indole-1-carboxylic acid, 4-formyl-5-methoxy-7-methyl-, 1,1-dimethylethyl ester
CAS No: 1481631-51-9 Catalog No: AG001FHB MDL No:
Product Description
Catalog Number:
AG001FHB
Chemical Name:
1H-Indole-1-carboxylic acid, 4-formyl-5-methoxy-7-methyl-, 1,1-dimethylethyl ester
CAS Number:
1481631-51-9
Molecular Formula:
C16H19NO4
Molecular Weight:
289.3264
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
SMILES:
O=Cc1c(OC)cc(c2c1ccn2C(=O)OC(C)(C)C)C
Properties
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
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