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150408-83-6 | Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-ar-carboxylic acid, 3',6'-bis(dimethylamino)-3-oxo-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 150408-83-6 Catalog No: AG001ML9 MDL No:MFCD00077324
Product Description
Catalog Number:
AG001ML9
Chemical Name:
Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-ar-carboxylic acid, 3',6'-bis(dimethylamino)-3-oxo-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
150408-83-6
MDL Number:
MFCD00077324
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3',6'-bis(dimethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylate
InChI:
InChI=1S/C29H25N3O7/c1-30(2)17-6-9-21-23(14-17)37-24-15-18(31(3)4)7-10-22(24)29(21)20-8-5-16(13-19(20)28(36)38-29)27(35)39-32-25(33)11-12-26(32)34/h5-10,13-15H,11-12H2,1-4H3
InChI Key:
CXYYHBMOVJJZTD-UHFFFAOYSA-N
Properties
Complexity:
982
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
527.169g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
527.533g/mol
Monoisotopic Mass:
527.169g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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