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ARN 14686

CAT: 0926-DQC34510-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-DQC34510-01Size:5 mg
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CAS Number
1628345-10-7
Smiles
C#CCCCCCCCCCOC (=O) NC1CNC1=O
Molecular Formula
C15H24N2O3
Molecular Weight
280.36 g/mol
Controlled
No

Chemical Information

undec-10-ynyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
CAS Number1628345-10-7
PubChem CID118915444
IUPAC Nameundec-10-ynyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
Molecular FormulaC15H24N2O3
Molecular Weight280.36
XLogP3.1
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Heavy Atom Count20
Formal Charge0
Complexity359
SMILES
C#CCCCCCCCCCOC(=O)N[C@H]1CNC1=O
InChI
InChI=1S/C15H24N2O3/c1-2-3-4-5-6-7-8-9-10-11-20-15(19)17-13-12-16-14(13)18/h1,13H,3-12H2,(H,16,18)(H,17,19)/t13-/m0/s1
InChIKey
XEXRAYPXQNELAS-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of undec-10-ynyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
CAS: 1628345-10-7
CID: 118915444
Formula: C15H24N2O3
MW: 280.36
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight280.36
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass280.17869263
Monoisotopic Mass280.17869263
Topological Polar Surface Area67.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity359
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes