AG003N53

3348-03-6 | 3',6'-Diacetoxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid

AG003N53

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CAS Number	3348-03-6
Catalog Number	AG003N53(AGN-PC-0R8YFR)
Chemical Name	3',6'-Diacetoxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid
IUPAC Name	3',6'-diacetyloxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid
InChI	InChI=1S/C25H16O9/c1-12(26)31-15-4-7-18-21(10-15)33-22-11-16(32-13(2)27)5-8-19(22)25(18)20-9-14(23(28)29)3-6-17(20)24(30)34-25/h3-11H,1-2H3,(H,28,29)
InChI Key	QMOGCCYGOPYYNT-UHFFFAOYSA-N
MDL Number	MFCD00036871
Molecular Formula	C25H16O9
Molecular Weight	460.3891
SMILES	O=C(C1=CC(C2(C3=C(OC4=C2C=CC(OC(C)=O)=C4)C=C(OC(C)=O)C=C3)O5)=C(C=C1)C5=O)O
Synonyms	6-carboxy-3',6'-diacetylfluorescein, 6-carboxyfluorescein diacetate, 6-CFDA, 6-Carboxyfluorescein diacetate, 3348-03-6, 6-Cfda, 3',6'-Diacetoxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid, 6-carboxyfluoresceine diacetate, 6-Carboxy-di-O-acetylfluorescein, MFCD00036871, C-1830, CFDA, AC1L45NR, SCHEMBL5277430, CTK1C2725, BIC1070, DTXSID80187121, QMOGCCYGOPYYNT-UHFFFAOYSA-N, ZX-AFC003165, HY-D0721, ZINC4536051, ANW-73217, CC-931, 6-Carboxy-3',6'-diacetylfluorescein, 3',6'-diacetyloxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid, AKOS016008567, CS-3853, RTR-014009, KS-000000A2, AJ-51605, AK105386, AS-32997, AX8105363, TR-014009, FT-0621011, 6-Carboxyfluorescein diacetate, ~95% (HPLC), 348C036, Spiro(phthalan-1,9'-xanthene)-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-, diacetate, Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-6-carboxylicacid, 3',6'-bis(acetyloxy)-3-oxo-, Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid, 3',6'-bis(acetyloxy)-3-oxo-, 6-CARBOXYFLUORESCEINDIACETATE, CID151095, 1,2,4,5-Benzenetetracarboxylic acid, 6-Carboxyfluorescein diacetate, 95% - 100MG 100mg,

Complexity	828
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	460.079g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	460.394g/mol
Monoisotopic Mass	460.079g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	125A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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