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Phthalimide for Synthesis 98.0%

CAT: 0459-029543-01Size: 50 KgDry Ice: NoHazardous: No
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CAS Number
85-41-6

Chemical Information

Phthalimide

Phthalimide is a dicarboximide that is 2,3-dihydro-1H-isoindole substituted by oxo groups at positions 1 and 3.

CAS Number85-41-6
PubChem CID6809
IUPAC Nameisoindole-1,3-dione
Molecular FormulaC8H5NO2
Molecular Weight147.13
XLogP1.1
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity190
SMILES
C1=CC=C2C(=C1)C(=O)NC2=O
InChI
InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)
InChIKey
XKJCHHZQLQNZHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phthalimide
CAS: 85-41-6
CID: 6809
Formula: C8H5NO2
MW: 147.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight147.13
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass147.032028402
Monoisotopic Mass147.032028402
Topological Polar Surface Area46.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity190
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