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Dehydro Levetiracetam

CAT: 0572-TRC-D230275-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D230275-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
358629-47-7
Synonyms
(2Z)-2-(2-Oxopyrrolidin-1-yl)but-2-enamide; Levetiracetam Imp. B (EP)
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
C\C=C(/N1CCCC1=O)\C(=O)N
Molecular Formula
C8 H12 N2 O2
Molecular Weight
168.19
InChI
InChI=1S/C8H12N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h2H,3-5H2,1H3,(H2,9,12)/b6-2-
Additionnal Information
IUPAC name: (Z)-2-(2-oxopyrrolidin-1-yl)but-2-enamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-(2-Oxopyrrolidin-1-yl)but-2-enamide, (2Z)-
CAS Number358629-47-7
PubChem CID29938361
IUPAC Name(Z)-2-(2-oxopyrrolidin-1-yl)but-2-enamide
Molecular FormulaC8H12N2O2
Molecular Weight168.19
XLogP-0.4
Topological Polar Surface Area63.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity245
SMILES
C/C=C(/C(=O)N)\N1CCCC1=O
InChI
InChI=1S/C8H12N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h2H,3-5H2,1H3,(H2,9,12)/b6-2-
InChIKey
ZGHRUXLFLIMTAG-KXFIGUGUSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Oxopyrrolidin-1-yl)but-2-enamide, (2Z)-
CAS: 358629-47-7
CID: 29938361
Formula: C8H12N2O2
MW: 168.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.19
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass168.089877630
Monoisotopic Mass168.089877630
Topological Polar Surface Area63.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity245
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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