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Home > Indoles and Oxindole > 24697-70-9
24697-70-9 | 1H-Isoindole-1,3(2H)-dione, 2-(4-hydroxybutyl)-
CAS No: 24697-70-9 Catalog No: AG002P1P MDL No:MFCD00204335
Product Description
Catalog Number:
AG002P1P
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(4-hydroxybutyl)-
CAS Number:
24697-70-9
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD00204335
IUPAC Name:
2-(4-hydroxybutyl)isoindole-1,3-dione
InChI:
InChI=1S/C12H13NO3/c14-8-4-3-7-13-11(15)9-5-1-2-6-10(9)12(13)16/h1-2,5-6,14H,3-4,7-8H2
InChI Key:
FWNCNQDIENYPDJ-UHFFFAOYSA-N
SMILES:
OCCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Design, synthesis, biochemical evaluation and antimycobacterial action of phosphonate inhibitors of antigen 85C, a crucial enzyme involved in biosynthesis of the mycobacterial cell wall. | European journal of medicinal chemistry 20070101 |
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