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5(6)-carboxyfluorescein

5(6)-carboxyfluorescein

CAS: 76823-03-5

Formula: C21H12O7

SMILES: OC(=O)C1=CC2=C(C=C1)C1(OC2=O)C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2

IUPAC: 3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid

InChI: InChI=1S/C21H12O7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)21(15)14-4-1-10(19(24)25)7-13(14)20(26)28-21/h1-9,22-23H,(H,24,25)

Composition: C (67.03%), H (3.21%), O (29.76%)

Molar Mass: 376.32

Atom Count: 40

Heavy Atom Count: 28

Properties
Properties
Common Names 4(5)-carboxyfluorescein; 4-carboxyfluorescein; 5-fam
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 376.058302726
Formal Charge 0
FSP3 0.05
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey NJYVEMPWNAYQQN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.48
Topological Polar Surface Area 113.29
Polarizability 36.79
Ring Count 5
Rotatable Bond Count 1

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