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Home > Indoles and Oxindole > 113807-41-3
113807-41-3 | 1H-Isoindole-1,3(2H)-dione, 2-(2-ethyl-3-oxobutyl)-
CAS No: 113807-41-3 Catalog No: AG0009QQ MDL No:
Product Description
Catalog Number:
AG0009QQ
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(2-ethyl-3-oxobutyl)-
CAS Number:
113807-41-3
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
2-(2-ethyl-3-oxobutyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H15NO3/c1-3-10(9(2)16)8-15-13(17)11-6-4-5-7-12(11)14(15)18/h4-7,10H,3,8H2,1-2H3
InChI Key:
BYMUDHNZVJRRPF-UHFFFAOYSA-N
SMILES:
CCC(C(=O)C)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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