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Compound FL0134

CAT: 0013-GTR19269721-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269721-02Size:10 mg
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Description
Compound FL0134, with CAS No. 26272-83-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0134 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
26272-83-3
Purity
99.10% (May vary between batches)
Smiles
CC1=CC=C (C=C1) S (=O) (=O) OC1COC1
Molecular Formula
C10H12O4S
Molecular Weight
228.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Oxetan-3-yl 4-methylbenzene-1-sulfonate
CAS Number26272-83-3
PubChem CID13153907
IUPAC Nameoxetan-3-yl 4-methylbenzenesulfonate
Molecular FormulaC10H12O4S
Molecular Weight228.27
XLogP1.3
Topological Polar Surface Area61
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity294
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2COC2
InChI
InChI=1S/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-9-6-13-7-9/h2-5,9H,6-7H2,1H3
InChIKey
UMFWNFVHKAJOSE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oxetan-3-yl 4-methylbenzene-1-sulfonate
CAS: 26272-83-3
CID: 13153907
Formula: C10H12O4S
MW: 228.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.27
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass228.04563003
Monoisotopic Mass228.04563003
Topological Polar Surface Area61 Ų
Heavy Atom Count15
Formal Charge0
Complexity294
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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