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Home > Indoles and Oxindole > 41709-87-9
41709-87-9 | 4-hydroxy-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 41709-87-9 Catalog No: AG01BEAD MDL No:MFCD09836404
Product Description
Catalog Number:
AG01BEAD
Chemical Name:
4-hydroxy-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
41709-87-9
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
MDL Number:
MFCD09836404
IUPAC Name:
4-hydroxyisoindole-1,3-dione
InChI:
InChI=1S/C8H5NO3/c10-5-3-1-2-4-6(5)8(12)9-7(4)11/h1-3,10H,(H,9,11,12)
InChI Key:
XXYNZSATHOXXBJ-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c1c(O)ccc2
NSC Number:
403994
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.132g/mol
Monoisotopic Mass:
163.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Synthesis of new arylalkoxy amido derivatives as melatoninergic ligands. | Bioorganic & medicinal chemistry 20030306 |
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