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6-Carboxyfluorescein

CAT: 0862-GT6690-50mgSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0862-GT6690-50mgSize:50 mg
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CAS Number
3301-79-9
MDL Number
MFCD00036873
HS Code
3212900000
Purity
97.00%
Molecular Formula
C21H12O7
Molecular Weight
376.32
Storage Conditions
+4°C
Hazardous Class
Not hazardous

Chemical Information

6-Carboxyfluorescein

6-carboxyfluorescein is a monocarboxylic acid. It is functionally related to a fluorescein (lactone form).

CAS Number3301-79-9
PubChem CID76806
IUPAC Name3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid
Molecular FormulaC21H12O7
Molecular Weight376.3
XLogP2.9
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count28
Formal Charge0
Complexity637
SMILES
C1=CC2=C(C=C1C(=O)O)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O
InChI
InChI=1S/C21H12O7/c22-11-2-5-14-17(8-11)27-18-9-12(23)3-6-15(18)21(14)16-7-10(19(24)25)1-4-13(16)20(26)28-21/h1-9,22-23H,(H,24,25)
InChIKey
BZTDTCNHAFUJOG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Carboxyfluorescein
CAS: 3301-79-9
CID: 76806
Formula: C21H12O7
MW: 376.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.3
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass376.05830272
Monoisotopic Mass376.05830272
Topological Polar Surface Area113 Ų
Heavy Atom Count28
Formal Charge0
Complexity637
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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