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Home > Indoles and Oxindole > 1229623-49-7
1229623-49-7 | 3-(1-Methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-3-oxo-propionic acid methyl ester
CAS No: 1229623-49-7 Catalog No: AG01F3Q1 MDL No:
Product Description
Catalog Number:
AG01F3Q1
Chemical Name:
3-(1-Methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-3-oxo-propionic acid methyl ester
CAS Number:
1229623-49-7
Molecular Formula:
C13H15NO5S
Molecular Weight:
297.3269
IUPAC Name:
methyl 3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-3-oxopropanoate
InChI:
InChI=1S/C13H15NO5S/c1-19-13(16)8-12(15)10-3-4-11-9(7-10)5-6-14(11)20(2,17)18/h3-4,7H,5-6,8H2,1-2H3
InChI Key:
MGUGGAHECGBPPH-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)c1ccc2c(c1)CCN2S(=O)(=O)C
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.325g/mol
Monoisotopic Mass:
297.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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