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Phthalimide-d4

CAT: 0572-TRC-P384552-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P384552-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60161-31-1
Synonyms
Phthalimide D4 (Phenyl D4); 3,4,5,6-Tetradeuterophthalimide; 1H-Isoindole-1,3(2H)-dione-4,5,6,7-d4
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
O=C1C=2C(C(=O)N1)=C(C(=C(C2[2H])[2H])[2H])[2H]
Molecular Formula
C8 2H4 H N O2
Molecular Weight
151.16
InChI
InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)/i1D,2D,3D,4D
Additionnal Information
IUPAC name: 4,5,6,7-tetradeuterioisoindole-1,3-dione
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4,5,6,7-Tetradeuterioisoindole-1,3-dione
CAS Number60161-31-1
PubChem CID46894643
IUPAC Name4,5,6,7-tetradeuterioisoindole-1,3-dione
Molecular FormulaC8H5NO2
Molecular Weight151.15
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
[2H]C1=C(C(=C2C(=C1[2H])C(=O)NC2=O)[2H])[2H]
InChI
InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)/i1D,2D,3D,4D
InChIKey
XKJCHHZQLQNZHY-RHQRLBAQSA-N
Chemical Structure
2D Structure
2D structure of 4,5,6,7-Tetradeuterioisoindole-1,3-dione
CAS: 60161-31-1
CID: 46894643
Formula: C8H5NO2
MW: 151.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.15
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass151.057135386
Monoisotopic Mass151.057135386
Topological Polar Surface Area46.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity190
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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