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Home > Indoles and Oxindole > 1037075-43-6
1037075-43-6 | 1-Boc-5,6-Dimethoxyindoline
CAS No: 1037075-43-6 Catalog No: AG01DKYI MDL No:
Product Description
Catalog Number:
AG01DKYI
Chemical Name:
1-Boc-5,6-Dimethoxyindoline
CAS Number:
1037075-43-6
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
IUPAC Name:
tert-butyl 5,6-dimethoxy-2,3-dihydroindole-1-carboxylate
InChI:
InChI=1S/C15H21NO4/c1-15(2,3)20-14(17)16-7-6-10-8-12(18-4)13(19-5)9-11(10)16/h8-9H,6-7H2,1-5H3
InChI Key:
XFMIGCAWYMRHRQ-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCN2C(=O)OC(C)(C)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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