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1-Cbz-3-Hydroxyazetidine

CAT: 0607-BA2547-500000Size: 500 gDry Ice: NoHazardous: No
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CAT#:0607-BA2547-500000Size:500 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
128117-22-6
Form
A solid
Molecular Formula
C11H13NO3
Molecular Weight
207.23
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Benzyl 3-hydroxyazetidine-1-carboxylate
CAS Number128117-22-6
PubChem CID10081755
IUPAC Namebenzyl 3-hydroxyazetidine-1-carboxylate
Molecular FormulaC11H13NO3
Molecular Weight207.23
XLogP0.8
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity220
SMILES
C1C(CN1C(=O)OCC2=CC=CC=C2)O
InChI
InChI=1S/C11H13NO3/c13-10-6-12(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChIKey
XJWSNDGCJMGHSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzyl 3-hydroxyazetidine-1-carboxylate
CAS: 128117-22-6
CID: 10081755
Formula: C11H13NO3
MW: 207.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight207.23
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass207.08954328
Monoisotopic Mass207.08954328
Topological Polar Surface Area49.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity220
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