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Home > Indoles and Oxindole > 1229623-82-8
1229623-82-8 | 3-Oxo-5-(2-oxo-2,3-dihydro-1H-indol-3-yl)-pentanoic acid methyl ester
CAS No: 1229623-82-8 Catalog No: AG01F51G MDL No:
Product Description
Catalog Number:
AG01F51G
Chemical Name:
3-Oxo-5-(2-oxo-2,3-dihydro-1H-indol-3-yl)-pentanoic acid methyl ester
CAS Number:
1229623-82-8
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
IUPAC Name:
methyl 3-oxo-5-(2-oxo-1,3-dihydroindol-3-yl)pentanoate
InChI:
InChI=1S/C14H15NO4/c1-19-13(17)8-9(16)6-7-11-10-4-2-3-5-12(10)15-14(11)18/h2-5,11H,6-8H2,1H3,(H,15,18)
InChI Key:
OUTFTDYCBDAONA-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)CCC1C(=O)Nc2c1cccc2
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.277g/mol
Monoisotopic Mass:
261.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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