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Hispidol 50mg

CAT: 0628-A20185-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A20185-50Size:50 mg
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CAS Number
5786-54-9

Chemical Information

Hispidol

Hispidol is a hydroxyaurone that is aurone substituted by hydroxy groups at positions 6 and 4' respectively. It has a role as a plant metabolite. It is functionally related to an aurone.

CAS Number5786-54-9
PubChem CID5281254
IUPAC Name(2Z)-6-hydroxy-2-[(4-hydroxyphenyl)methylidene]-1-benzofuran-3-one
Molecular FormulaC15H10O4
Molecular Weight254.24
XLogP2.9
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity382
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O)O
InChI
InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-14-15(18)12-6-5-11(17)8-13(12)19-14/h1-8,16-17H/b14-7-
InChIKey
KEZLDSPIRVZOKZ-AUWJEWJLSA-N
Chemical Structure
2D Structure
2D structure of Hispidol
CAS: 5786-54-9
CID: 5281254
Formula: C15H10O4
MW: 254.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.24
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass254.05790880
Monoisotopic Mass254.05790880
Topological Polar Surface Area66.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity382
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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