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Home Other Building Blocks 4,5-dihydroxy-2,3-dihydro-1H-isoindole-1,3-dione

4,5-dihydroxy-2,3-dihydro-1H-isoindole-1,3-dione

CAS No.:
153356-72-0
Catalog Number:
AG01AMB4
Molecular Formula:
C8H5NO4
Molecular Weight:
179.1296
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Product Description
Catalog Number:
AG01AMB4
Chemical Name:
4,5-dihydroxy-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
153356-72-0
Molecular Formula:
C8H5NO4
Molecular Weight:
179.1296
MDL Number:
MFCD09836577
IUPAC Name:
4,5-dihydroxyisoindole-1,3-dione
InChI:
InChI=1S/C8H5NO4/c10-4-2-1-3-5(6(4)11)8(13)9-7(3)12/h1-2,10-11H,(H,9,12,13)
InChI Key:
DJAFPKRFXCOYCY-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c1c(O)c(cc2)O
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.022g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
179.131g/mol
Monoisotopic Mass:
179.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Diketoacid-genre HIV-1 integrase inhibitors containing enantiomeric arylamide functionality. Bioorganic & medicinal chemistry 20090715
Examination of halogen substituent effects on HIV-1 integrase inhibitors derived from 2,3-dihydro-6,7-dihydroxy-1H-isoindol-1-ones and 4,5-dihydroxy-1H-isoindole-1,3(2H)-diones. Bioorganic & medicinal chemistry letters 20090515
Properties