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130469-60-2 | 1H-Indole-1-carboxylic acid, 2,3-dihydro-3-[[(methylsulfonyl)oxy]methyl]-, 1,1-dimethylethyl ester
CAS No: 130469-60-2 Catalog No: AG000UH6 MDL No:
Product Description
Catalog Number:
AG000UH6
Chemical Name:
1H-Indole-1-carboxylic acid, 2,3-dihydro-3-[[(methylsulfonyl)oxy]methyl]-, 1,1-dimethylethyl ester
CAS Number:
130469-60-2
Molecular Formula:
C15H21NO5S
Molecular Weight:
327.3959
IUPAC Name:
tert-butyl 3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate
InChI:
InChI=1S/C15H21NO5S/c1-15(2,3)21-14(17)16-9-11(10-20-22(4,18)19)12-7-5-6-8-13(12)16/h5-8,11H,9-10H2,1-4H3
InChI Key:
CVDVWWSOEUWIED-UHFFFAOYSA-N
SMILES:
O=C(N1CC(c2c1cccc2)COS(=O)(=O)C)OC(C)(C)C
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.395g/mol
Monoisotopic Mass:
327.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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