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Levoglucosenone

CAT: 0804-HY-21226-03Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-21226-03Size:250 mg
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Description
Levoglucosenone Levoglucosenone has unique chemical properties that make it an important intermediate in the production of a wide variety of chemicals, including pharmaceuticals, fragrances and flavorings. Due to its ability to dissolve polar and non-polar compounds, it can also be used as a solvent or fuel additive.
CAS Number
37112-31-5
UNSPSC
12352200
Hazard Statement
H302, H319
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/levoglucosenone.html
Concentration
10mM
Purity
99.42
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1C=C[C@@]2([H])CO[C@]1([H])O2
Molecular Formula
C6H6O3
Molecular Weight
126.11
Precautions
H302, H319
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Levoglucosenone

Levoglucosenone is an anhydrohexose and a deoxyketohexose.

CAS Number37112-31-5
PubChem CID699486
IUPAC Name(1S,5R)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one
Molecular FormulaC6H6O3
Molecular Weight126.11
XLogP-0.2
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity173
SMILES
C1[C@@H]2C=CC(=O)[C@H](O1)O2
InChI
InChI=1S/C6H6O3/c7-5-2-1-4-3-8-6(5)9-4/h1-2,4,6H,3H2/t4-,6+/m0/s1
InChIKey
HITOXZPZGPXYHY-UJURSFKZSA-N
Chemical Structure
2D Structure
2D structure of Levoglucosenone
CAS: 37112-31-5
CID: 699486
Formula: C6H6O3
MW: 126.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight126.11
XLogP3-0.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass126.031694049
Monoisotopic Mass126.031694049
Topological Polar Surface Area35.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity173
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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