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Fluorescein Dibenzoate

CAT: 0572-TRC-F837350-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F837350-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7262-40-0
Hazard Statement
Causes skin irritation
Smiles
O=C(OC1=CC=C2C(OC3=CC(OC(=O)C=4C=CC=CC4)=CC=C3C52OC(=O)C=6C=CC=CC65)=C1)C=7C=CC=CC7
Molecular Formula
C34H20O7
Molecular Weight
540.52
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Fluorescein Dibenzoate
CAS Number7262-40-0
PubChem CID85981376
IUPAC Name(6'-benzoyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) benzoate
Molecular FormulaC34H20O7
Molecular Weight540.5
XLogP7
Topological Polar Surface Area88.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity926
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)OC(=O)C6=CC=CC=C6)C7=CC=CC=C7C(=O)O4
InChI
InChI=1S/C34H20O7/c35-31(21-9-3-1-4-10-21)38-23-15-17-27-29(19-23)40-30-20-24(39-32(36)22-11-5-2-6-12-22)16-18-28(30)34(27)26-14-8-7-13-25(26)33(37)41-34/h1-20H
InChIKey
JOPVUXANUVWNPD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fluorescein Dibenzoate
CAS: 7262-40-0
CID: 85981376
Formula: C34H20O7
MW: 540.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight540.5
XLogP37
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass540.12090297
Monoisotopic Mass540.12090297
Topological Polar Surface Area88.1 Ų
Heavy Atom Count41
Formal Charge0
Complexity926
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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