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Home > Indoles and Oxindole > 85-40-5
85-40-5 | 3a,4,7,7a-Tetrahydro-1H-isoindole-1,3(2H)-dione
CAS No: 85-40-5 Catalog No: AG003UP3 MDL No:MFCD00042782
Product Description
Catalog Number:
AG003UP3
Chemical Name:
3a,4,7,7a-Tetrahydro-1H-isoindole-1,3(2H)-dione
CAS Number:
85-40-5
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD00042782
IUPAC Name:
3a,4,7,7a-tetrahydroisoindole-1,3-dione
InChI:
InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)
InChI Key:
CIFFBTOJCKSRJY-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2C1CC=CC2
NSC Number:
59011
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Toxicokinetic modeling of captan fungicide and its tetrahydrophthalimide biomarker of exposure in humans. | Toxicology letters 20120813 |
| Toxicokinetics of captan and folpet biomarkers in orally exposed volunteers. | Journal of applied toxicology : JAT 20120301 |
| Toxicokinetics of captan and folpet biomarkers in dermally exposed volunteers. | Journal of applied toxicology : JAT 20120301 |
| Air pollutants formed in thermal decomposition of folpet fungicide under oxidative conditions. | Environmental science & technology 20110115 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Tetrabutylammonium bromide media aza-Michael addition of 1,2,3,6-tetrahydrophthalimide to symmetrical fumaric esters and acrylic esters under solvent-free conditions. | Molecules (Basel, Switzerland) 20101021 |
| Antinociceptive effects of tetrahydrophthalimides and related compounds. | Zeitschrift fur Naturforschung. C, Journal of biosciences 20070101 |
| GC-ITMS determination and degradation of captan during winemaking. | Journal of agricultural and food chemistry 20031105 |
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