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8-Hydroxybergapten

CAT: 0931-TN1345-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1345-03Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1603-47-0
Target
Others
Related Pathways
Others
Purity
0.9991
Bioactivity
8-Hydroxybergapten may have anti-wrinkle activity.
Smiles
COc1c2ccoc2c(O)c2oc(=O)ccc12
Molecular Formula
C12H8O5
Molecular Weight
232.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

8-Hydroxybergapten

9-Hydroxy-4-methoxypsoralen is a member of psoralens.

CAS Number1603-47-0
PubChem CID3083726
IUPAC Name9-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one
Molecular FormulaC12H8O5
Molecular Weight232.19
XLogP1.9
Topological Polar Surface Area68.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity353
SMILES
COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)O
InChI
InChI=1S/C12H8O5/c1-15-10-6-2-3-8(13)17-12(6)9(14)11-7(10)4-5-16-11/h2-5,14H,1H3
InChIKey
MVJHUMZXIJPVHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Hydroxybergapten
CAS: 1603-47-0
CID: 3083726
Formula: C12H8O5
MW: 232.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.19
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass232.03717335
Monoisotopic Mass232.03717335
Topological Polar Surface Area68.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity353
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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