Fluoro Science Diacetate AR

CAT: 0459-530035Size: 5 gDry Ice: NoHazardous: No

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CAT#:0459-530035Size:5 g

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CAS Number

596-09-8

Chemical Information

Fluorescein, diacetate

CAS Number	596-09-8
PubChem CID	65047
IUPAC Name	(6'-acetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate
Molecular Formula	C24H16O7
Molecular Weight	416.4
XLogP	3.6
Topological Polar Surface Area	88.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	31
Formal Charge	0
Complexity	708

SMILES

CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=CC=CC=C5C(=O)O3

InChI

InChI=1S/C24H16O7/c1-13(25)28-15-7-9-19-21(11-15)30-22-12-16(29-14(2)26)8-10-20(22)24(19)18-6-4-3-5-17(18)23(27)31-24/h3-12H,1-2H3

InChIKey

CHADEQDQBURGHL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 596-09-8

CID: 65047

Formula: C24H16O7

MW: 416.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	416.4
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	416.08960285
Monoisotopic Mass	416.08960285
Topological Polar Surface Area	88.1 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	708
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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529925	4-Fluoro Phenol AR 98.5%
530145-01	4-Fluoro Toluene AR 97.0%
066515-01	Dibutyl Tin Diacetate
529900-01	1-Fluoro -2, 4-Dinitro Benzene AR 99.0%
686715-01	Xylene AR
676815-01	Vanillin AR
627495	Quinoline AR
529000	Ferron AR
500845-01	Cyclohexanol AR

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