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1-N-Boc-3-hydroxyazetidine

CAT: 0607-BA2477-500000Size: 500 gDry Ice: NoHazardous: No
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CAT#:0607-BA2477-500000Size:500 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
141699-55-0
Form
A solid
Molecular Formula
C8H15NO3
Molecular Weight
173.21
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Tert-butyl 3-hydroxyazetidine-1-carboxylate
CAS Number141699-55-0
PubChem CID2756801
IUPAC Nametert-butyl 3-hydroxyazetidine-1-carboxylate
Molecular FormulaC8H15NO3
Molecular Weight173.21
XLogP0.3
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity179
SMILES
CC(C)(C)OC(=O)N1CC(C1)O
InChI
InChI=1S/C8H15NO3/c1-8(2,3)12-7(11)9-4-6(10)5-9/h6,10H,4-5H2,1-3H3
InChIKey
XRRXRQJQQKMFBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl 3-hydroxyazetidine-1-carboxylate
CAS: 141699-55-0
CID: 2756801
Formula: C8H15NO3
MW: 173.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight173.21
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass173.10519334
Monoisotopic Mass173.10519334
Topological Polar Surface Area49.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity179
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