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Citropten

CAT: 0013-GTR19159182-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159182-02Size:500 mg
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Description
Citropten is a natural organic compound and is found in the essential oils of citrus such as lime, lemon, and bergamot.
CAS Number
487-06-9
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 25 mg/mL (121.24 mM)
Smiles
COC1=CC (OC) =C2C=CC (=O) OC2=C1
Molecular Formula
C11H10O4
Molecular Weight
206.2
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

5,7-Dimethoxycoumarin

5,7-dimethoxy-1-benzopyran-2-one is a member of coumarins.

CAS Number487-06-9
PubChem CID2775
IUPAC Name5,7-dimethoxychromen-2-one
Molecular FormulaC11H10O4
Molecular Weight206.19
XLogP1.9
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity274
SMILES
COC1=CC2=C(C=CC(=O)O2)C(=C1)OC
InChI
InChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3
InChIKey
NXJCRELRQHZBQA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,7-Dimethoxycoumarin
CAS: 487-06-9
CID: 2775
Formula: C11H10O4
MW: 206.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.19
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass206.05790880
Monoisotopic Mass206.05790880
Topological Polar Surface Area44.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity274
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
C10750-25mgCitropten
HY-N7085R-01Citropten (Standard)

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