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Psoralen 20mg

CAT: 0628-A13908-20Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0628-A13908-20Size:20 mg
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CAS Number
66-97-7

Chemical Information

Psoralen

Psoralen is the simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifolia. It has a role as a plant metabolite.

CAS Number66-97-7
PubChem CID6199
IUPAC Namefuro[3,2-g]chromen-7-one
Molecular FormulaC11H6O3
Molecular Weight186.16
XLogP2.3
Topological Polar Surface Area39.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity284
SMILES
C1=CC(=O)OC2=CC3=C(C=CO3)C=C21
InChI
InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
InChIKey
ZCCUUQDIBDJBTK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Psoralen
CAS: 66-97-7
CID: 6199
Formula: C11H6O3
MW: 186.16
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.16
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass186.031694049
Monoisotopic Mass186.031694049
Topological Polar Surface Area39.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity284
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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