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136832-63-8 | Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-bis(acetyloxy)-5-(chloromethyl)-
CAS No: 136832-63-8 Catalog No: AG0012FJ MDL No:
Product Description
Catalog Number:
AG0012FJ
Chemical Name:
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-bis(acetyloxy)-5-(chloromethyl)-
CAS Number:
136832-63-8
Molecular Formula:
C25H17ClO7
Molecular Weight:
464.8513
IUPAC Name:
[6'-acetyloxy-5-(chloromethyl)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate
InChI:
InChI=1S/C25H17ClO7/c1-13(27)30-16-4-7-20-22(10-16)32-23-11-17(31-14(2)28)5-8-21(23)25(20)19-6-3-15(12-26)9-18(19)24(29)33-25/h3-11H,12H2,1-2H3
InChI Key:
IPJDHSYCSQAODE-UHFFFAOYSA-N
SMILES:
ClCc1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)OC(=O)C)OC(=O)C
Properties
Complexity:
760
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.066g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
464.854g/mol
Monoisotopic Mass:
464.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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