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3'-O-Methylfluorescein

CAT: 0572-TRC-M706720-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M706720-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
70672-05-8
Synonyms
3'-Hydroxy-6'-methoxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
Hazard Statement
No Data Available
Smiles
COc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccccc45)c1
Molecular Formula
C21H14O5
Molecular Weight
346.33
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3'-Hydroxy-6'-methoxy-3H-spiro(2-benzofuran-1,9'-xanthen)-3-one
CAS Number70672-05-8
PubChem CID18364099
IUPAC Name3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Molecular FormulaC21H14O5
Molecular Weight346.3
XLogP3.7
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count26
Formal Charge0
Complexity565
SMILES
COC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)O)C5=CC=CC=C5C(=O)O3
InChI
InChI=1S/C21H14O5/c1-24-13-7-9-17-19(11-13)25-18-10-12(22)6-8-16(18)21(17)15-5-3-2-4-14(15)20(23)26-21/h2-11,22H,1H3
InChIKey
KDXNYSZNOWTPLE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3'-Hydroxy-6'-methoxy-3H-spiro(2-benzofuran-1,9'-xanthen)-3-one
CAS: 70672-05-8
CID: 18364099
Formula: C21H14O5
MW: 346.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.3
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass346.08412354
Monoisotopic Mass346.08412354
Topological Polar Surface Area65 Ų
Heavy Atom Count26
Formal Charge0
Complexity565
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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