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Compound FL0222

CAT: 0013-GTR19269755-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269755-01Size:1 mg
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Description
Compound FL0222, with CAS No. 637039-01-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0222 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
637039-01-1
Smiles
CC (C) (C) OC (=O) N1CCOC2 (CCNC2) C1
Molecular Formula
C12H22N2O3
Molecular Weight
242.3147
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tert-butyl 6-oxa-2,9-diazaspiro(4.5)decane-9-carboxylate
CAS Number637039-01-1
PubChem CID23548219
IUPAC Nametert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
Molecular FormulaC12H22N2O3
Molecular Weight242.31
XLogP0.3
Topological Polar Surface Area50.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity301
SMILES
CC(C)(C)OC(=O)N1CCOC2(C1)CCNC2
InChI
InChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-6-7-16-12(9-14)4-5-13-8-12/h13H,4-9H2,1-3H3
InChIKey
VESCRSHLXRKQFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl 6-oxa-2,9-diazaspiro(4.5)decane-9-carboxylate
CAS: 637039-01-1
CID: 23548219
Formula: C12H22N2O3
MW: 242.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.31
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass242.16304257
Monoisotopic Mass242.16304257
Topological Polar Surface Area50.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity301
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

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