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Compound FL0018

CAT: 0013-GTR19269682-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269682-04Size:25 mg
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Description
Compound FL0018, with CAS No. 1259034-35-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0018 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
1259034-35-9
Purity
98.18% (May vary between batches)
Smiles
CC (C) (C) OC (=O) N1CC (O) (C1) C#C
Molecular Formula
C10H15NO3
Molecular Weight
197.234
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

tert-Butyl 3-ethynyl-3-hydroxyazetidine-1-carboxylate
CAS Number1259034-35-9
PubChem CID65921280
IUPAC Nametert-butyl 3-ethynyl-3-hydroxyazetidine-1-carboxylate
Molecular FormulaC10H15NO3
Molecular Weight197.23
XLogP0.2
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity288
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C#C)O
InChI
InChI=1S/C10H15NO3/c1-5-10(13)6-11(7-10)8(12)14-9(2,3)4/h1,13H,6-7H2,2-4H3
InChIKey
VAWFBGXKDDJABY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-Butyl 3-ethynyl-3-hydroxyazetidine-1-carboxylate
CAS: 1259034-35-9
CID: 65921280
Formula: C10H15NO3
MW: 197.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.23
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass197.10519334
Monoisotopic Mass197.10519334
Topological Polar Surface Area49.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity288
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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