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Opuntiol

CAT: 0931-T131498-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T131498-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2860-28-8
Target
Others
Related Pathways
Others
Bioactivity
Opuntiol is a natural product that can be used as a reference standard.
Smiles
COc1cc(CO)oc(=O)c1
Molecular Formula
C7H8O4
Molecular Weight
156.137
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Opuntiol

6-(hydroxymethyl)-4-methoxypyran-2-one has been reported in Opuntia elatior with data available.

CAS Number2860-28-8
PubChem CID10034839
IUPAC Name6-(hydroxymethyl)-4-methoxypyran-2-one
Molecular FormulaC7H8O4
Molecular Weight156.14
XLogP-0.4
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity227
SMILES
COC1=CC(=O)OC(=C1)CO
InChI
InChI=1S/C7H8O4/c1-10-5-2-6(4-8)11-7(9)3-5/h2-3,8H,4H2,1H3
InChIKey
LQJXQKKJSKMSHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Opuntiol
CAS: 2860-28-8
CID: 10034839
Formula: C7H8O4
MW: 156.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.14
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass156.04225873
Monoisotopic Mass156.04225873
Topological Polar Surface Area55.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity227
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

Alternative Products

CatalogName
GTR19227100-01Opuntiol

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