1H-ISOINDOLE-1,3(2H)-DIONE, 2-(2-HYDROXYETHYL)-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 61842K53O1
EPA CompTox DTXSID1063225

Structure

InChI Key MWFLUYFYHANMCM-UHFFFAOYSA-N
Smiles OCCN1C(=O)c2ccccc2C1=O
InChI
InChI=1S/C10H9NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,12H,5-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H9N1O3
Molecular Weight 191.06
AlogP 0.27
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 57.61
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 3891-07-4
NORMAN SUSDAT
FDA SRS 61842K53O1
PubChem 77499
ChemSpider 69908.0
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