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Toloxatone

CAT: 0607-BA8508-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8508-50Size:50 mg
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CAS Number
29218-27-7
Form
A solid
Molecular Formula
C11H13NO3
Molecular Weight
207.23
Shipping Conditions
Blue ice
Storage Conditions
-20°C, protect from light.

Chemical Information

Toloxatone

5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one is a member of the class of oxazolidinones that is 5-(hydroxymethyl)-1,3-oxazolidin-2-one substituted by a 3-methylphenyl group at position 3. It is a primary alcohol, a member of toluenes and an oxazolidinone.

CAS Number29218-27-7
PubChem CID34521
IUPAC Name5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one
Molecular FormulaC11H13NO3
Molecular Weight207.23
XLogP1.2
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity244
SMILES
CC1=CC(=CC=C1)N2CC(OC2=O)CO
InChI
InChI=1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3
InChIKey
MXUNKHLAEDCYJL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Toloxatone
CAS: 29218-27-7
CID: 34521
Formula: C11H13NO3
MW: 207.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.23
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass207.08954328
Monoisotopic Mass207.08954328
Topological Polar Surface Area49.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity244
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

Alternative Products

CatalogName
TRC-T537005-250MGToloxatone
A18043-50Toloxatone 50mg
S0160-25mgToloxatone (MD69276)
A18043-25Toloxatone 25mg
A18043-5Toloxatone 5mg
A18043-10Toloxatone 10mg
A18043-100Toloxatone 100mg
A18043-10mM-DToloxatone 10mM * 1mL in DMSO

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