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69383-92-2 | Benzaldehyde, 3-[3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)propoxy]-
CAS No: 69383-92-2 Catalog No: AG006F7W MDL No:
Product Description
Catalog Number:
AG006F7W
Chemical Name:
Benzaldehyde, 3-[3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)propoxy]-
CAS Number:
69383-92-2
Molecular Formula:
C18H15NO4
Molecular Weight:
309.3160
IUPAC Name:
3-[3-(1,3-dioxoisoindol-2-yl)propoxy]benzaldehyde
InChI:
InChI=1S/C18H15NO4/c20-12-13-5-3-6-14(11-13)23-10-4-9-19-17(21)15-7-1-2-8-16(15)18(19)22/h1-3,5-8,11-12H,4,9-10H2
InChI Key:
LFYQBVBOGZASFX-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)OCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.321g/mol
Monoisotopic Mass:
309.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Massive screening yields novel and selective Trypanosoma cruzi triosephosphate isomerase dimer-interface-irreversible inhibitors with anti-trypanosomal activity. | European journal of medicinal chemistry 20101201 |
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