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Fluorescein dibutyrate

CAT: 0024-sc-396618ASize: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-396618ASize:25 g
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CAS Number
7298-65-9

Chemical Information

Butanoic acid, 3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3',6'-diyl ester
CAS Number7298-65-9
PubChem CID81719
IUPAC Name(6'-butanoyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) butanoate
Molecular FormulaC28H24O7
Molecular Weight472.5
XLogP5.3
Topological Polar Surface Area88.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity765
SMILES
CCCC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)CCC)C5=CC=CC=C5C(=O)O3
InChI
InChI=1S/C28H24O7/c1-3-7-25(29)32-17-11-13-21-23(15-17)34-24-16-18(33-26(30)8-4-2)12-14-22(24)28(21)20-10-6-5-9-19(20)27(31)35-28/h5-6,9-16H,3-4,7-8H2,1-2H3
InChIKey
CGMHIZMGYHYHML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butanoic acid, 3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3',6'-diyl ester
CAS: 7298-65-9
CID: 81719
Formula: C28H24O7
MW: 472.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.5
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass472.15220310
Monoisotopic Mass472.15220310
Topological Polar Surface Area88.1 Ų
Heavy Atom Count35
Formal Charge0
Complexity765
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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