CAS 153356-72-0 | 4,5-dihydroxy-2,3-dihydro-1H-isoindole-1,3-dione | CAS Number 153356-72-0

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153356-72-0 | 4,5-dihydroxy-2,3-dihydro-1H-isoindole-1,3-dione

CAS No: 153356-72-0 Catalog No: AG01AMB4 MDL No:MFCD09836577

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

179.022g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.131g/mol

Monoisotopic Mass:

179.022g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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