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8-Methoxypsoralen

CAT: 0926-FM08242-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FM08242-01Size:10 g
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CAS Number
298-81-7
Synonyms
Methoxsalen; Xanthotoxin;8-MOP;9-methoxy-7H-Furo[3,2-g][1]benzopyran-7-one
MDL Number
MFCD00005009
Smiles
COC1=C2C (=CC3=C1OC=C3) C=CC (=O) O2
Molecular Formula
C12H8O4
Molecular Weight
216.19 g/mol
Controlled
No

Chemical Information

8-Methoxypsoralen

8-Methoxypsoralen with ultraviolet A therapy can cause cancer according to California Labor Code.

CAS Number298-81-7
PubChem CID4114
IUPAC Name9-methoxyfuro[3,2-g]chromen-7-one
Molecular FormulaC12H8O4
Molecular Weight216.19
XLogP1.9
Topological Polar Surface Area48.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity325
SMILES
COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2
InChI
InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
InChIKey
QXKHYNVANLEOEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Methoxypsoralen
CAS: 298-81-7
CID: 4114
Formula: C12H8O4
MW: 216.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.19
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass216.04225873
Monoisotopic Mass216.04225873
Topological Polar Surface Area48.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity325
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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Alternative Products

CatalogName
N1305-208-Methoxypsoralen
sc-200505Methoxsalen (8-Methoxypsoralen)
MBS58010215-Hydroxy-8-methoxypsoralen
281685-018-Methoxypsoralen discontinued. See M3175
N1304-10005-Methoxypsoralen
235002-018-Methoxypsoralen (Xanthotoxin), 98-102% (HPLC) USP
300001Bergapten (5-Methoxypsoralen)
GTR19277954-019-Geranyloxy-4-methoxypsoralen
234285-015-Methoxypsoralen (Bergapten) 99+% (HPLC)
MBS6116009-01Methoxsalen (9-Methoxy-7H-furo[3,2-g][1]benzopyran-7-one, 8-Methoxypsoralen, Xanthotoxin, 8-MOP, Meladinine, Oxsoralen)

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