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Byakangelicol 10mg

CAT: 0628-A14671-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A14671-10Size:10 mg
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CAS Number
26091-79-2

Chemical Information

Byakangelicol

Byakangelicol is a member of psoralens.

CAS Number26091-79-2
PubChem CID3055167
IUPAC Name9-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]-4-methoxyfuro[3,2-g]chromen-7-one
Molecular FormulaC17H16O6
Molecular Weight316.30
XLogP2.6
Topological Polar Surface Area70.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity515
SMILES
CC1([C@H](O1)COC2=C3C(=C(C4=C2OC(=O)C=C4)OC)C=CO3)C
InChI
InChI=1S/C17H16O6/c1-17(2)11(23-17)8-21-16-14-10(6-7-20-14)13(19-3)9-4-5-12(18)22-15(9)16/h4-7,11H,8H2,1-3H3/t11-/m1/s1
InChIKey
ORBITTMJKIGFNH-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of Byakangelicol
CAS: 26091-79-2
CID: 3055167
Formula: C17H16O6
MW: 316.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight316.30
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass316.09468823
Monoisotopic Mass316.09468823
Topological Polar Surface Area70.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity515
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes