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Olaparib Impurity 9

CAT: 1596-AR-O01175-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-O01175-03Size:50 Units
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CAS Number
414910-15-9
Synonyms
Tert-butyl 4- (cyclopropanecarbonyl) piperazine-1-carboxylate;4-Cyclopropanoylpiperazine-1-carboxylic Acid tert-Butyl Ester
Molecular Formula
C13H22N2O3
Molecular Weight
254.33
API Name
Olaparib

Chemical Information

Tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CAS Number414910-15-9
PubChem CID968936
IUPAC Nametert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
Molecular FormulaC13H22N2O3
Molecular Weight254.33
XLogP0.8
Topological Polar Surface Area49.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity337
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CC2
InChI
InChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)15-8-6-14(7-9-15)11(16)10-4-5-10/h10H,4-9H2,1-3H3
InChIKey
IREXWNMKXDFMFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CAS: 414910-15-9
CID: 968936
Formula: C13H22N2O3
MW: 254.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.33
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass254.16304257
Monoisotopic Mass254.16304257
Topological Polar Surface Area49.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity337
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

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