AG0039EF

63440-93-7 | 3,8,15,20-TETRAOXATRICYCLO[20.2.2.210,13]OCTACOSA-1(24),10,12,22,25,27-HEXAENE-2,9,14,21-TETRONE

AG0039EF

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CAS Number	63440-93-7
Catalog Number	AG0039EF(AGN-PC-0T8GDI)
Chemical Name	3,8,15,20-TETRAOXATRICYCLO[20.2.2.210,13]OCTACOSA-1(24),10,12,22,25,27-HEXAENE-2,9,14,21-TETRONE
IUPAC Name	3,8,15,20-tetraoxatricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-2,9,14,21-tetrone
InChI	InChI=1S/C24H24O8/c25-21-17-5-7-19(8-6-17)23(27)31-15-3-4-16-32-24(28)20-11-9-18(10-12-20)22(26)30-14-2-1-13-29-21/h5-12H,1-4,13-16H2
InChI Key	SFNCDJVWOAZMFE-UHFFFAOYSA-N
MDL Number	MFCD22572530
Molecular Formula	C24H24O8
Molecular Weight	440.4426
SMILES	O=C(OCCCCOC(C1=CC=C(C=C1)C(OCCCCO2)=O)=O)C(C=C3)=CC=C3C2=O
Synonyms	pharacine, pharacine, 63440-93-7, 3,8,15,20-Tetraoxatricyclo[20.2.2.210,13]octacosa-1(24),10,12,22,25,27-hexaene-2,9,14,21-tetrone, 3,8,15,20-Tetraoxatricyclo[20.2.2.210,13]octacosa-10,12,22,24,25,27-hexaene-2,9,14,21-tetrone, Pharacin, PBT Cyclic Dimer, Cyclobis(1,4-butylene terephthalate), CHEMBL465483, SCHEMBL3876076, DTXSID70440217, MFCD22572530, ZINC14650469, AKOS027321327, FT-0673663, 1,4-Butanediol-terephthaloyl Chloride Cyclic Dimer, Cyclic PBT Dimer, CID10455912, CID 10455912,

Complexity	532
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	440.147g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	440.448g/mol
Monoisotopic Mass	440.147g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	105A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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