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Fluorescein dicaproate

CAT: 0024-sc-263325Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-263325Size:1 g
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CAS Number
7364-90-1

Chemical Information

Fluorescein dicaproate
CAS Number7364-90-1
PubChem CID26369041
IUPAC Name(6'-hexanoyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) hexanoate
Molecular FormulaC32H32O7
Molecular Weight528.6
XLogP7.5
Topological Polar Surface Area88.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count39
Formal Charge0
Complexity823
SMILES
CCCCCC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)CCCCC)C5=CC=CC=C5C(=O)O3
InChI
InChI=1S/C32H32O7/c1-3-5-7-13-29(33)36-21-15-17-25-27(19-21)38-28-20-22(37-30(34)14-8-6-4-2)16-18-26(28)32(25)24-12-10-9-11-23(24)31(35)39-32/h9-12,15-20H,3-8,13-14H2,1-2H3
InChIKey
DHSNCRHSIFNRJY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fluorescein dicaproate
CAS: 7364-90-1
CID: 26369041
Formula: C32H32O7
MW: 528.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.6
XLogP37.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass528.21480336
Monoisotopic Mass528.21480336
Topological Polar Surface Area88.1 Ų
Heavy Atom Count39
Formal Charge0
Complexity823
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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CatalogName
BIF4108Fluorescein dicaproate
22019-AATFluorescein dicaprylate [Fluorescein dioctanoate]
FF23342-01Fluorescein

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