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N- (2-Hydroxy Ethyl) Phthalimide (2-Phthalimidoethanol)

CAT: 1442-108460 100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1442-108460 100Size:100 mg
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CAS Number
3891-07-4
Molecular Formula
C10H9NO3
Molecular Weight
191.18
HSN Code
29251900

Chemical Information

N-(2-Hydroxyethyl)phthalimide

esters tested as molluscacides; RN given refers to parent cpd

CAS Number3891-07-4
PubChem CID77499
IUPAC Name2-(2-hydroxyethyl)isoindole-1,3-dione
Molecular FormulaC10H9NO3
Molecular Weight191.18
XLogP0.8
Topological Polar Surface Area57.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity240
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCO
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
InChIKey
MWFLUYFYHANMCM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-Hydroxyethyl)phthalimide
CAS: 3891-07-4
CID: 77499
Formula: C10H9NO3
MW: 191.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight191.18
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass191.058243149
Monoisotopic Mass191.058243149
Topological Polar Surface Area57.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity240
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes