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Home > Indoles and Oxindole > 1423034-65-4
1423034-65-4 | 2-(3,5-dioxohexyl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 1423034-65-4 Catalog No: AG01A0LA MDL No:MFCD22578442
Product Description
Catalog Number:
AG01A0LA
Chemical Name:
2-(3,5-dioxohexyl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
1423034-65-4
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
MDL Number:
MFCD22578442
IUPAC Name:
2-(3,5-dioxohexyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H13NO4/c1-9(16)8-10(17)6-7-15-13(18)11-4-2-3-5-12(11)14(15)19/h2-5H,6-8H2,1H3
InChI Key:
CALZWUSDFAJGRO-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)C)CCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.261g/mol
Monoisotopic Mass:
259.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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