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Home > Other Heterocycles > 75350-46-8
75350-46-8 | 1-(3',6'-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl);-1H-pyrrole-2,5-dione
CAS No: 75350-46-8 Catalog No: AG005Y0K MDL No:MFCD00077345
Product Description
Catalog Number:
AG005Y0K
Chemical Name:
1-(3',6'-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl);-1H-pyrrole-2,5-dione
CAS Number:
75350-46-8
Molecular Formula:
C24H13NO7
Molecular Weight:
427.3625
MDL Number:
MFCD00077345
IUPAC Name:
1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)pyrrole-2,5-dione
InChI:
InChI=1S/C24H13NO7/c26-13-2-5-17-19(10-13)31-20-11-14(27)3-6-18(20)24(17)16-4-1-12(9-15(16)23(30)32-24)25-21(28)7-8-22(25)29/h1-11,26-27H
InChI Key:
AYDAHOIUHVUJHQ-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3ccc(c2)N2C(=O)C=CC2=O)ccc(c1)O
Properties
Complexity:
826
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.069g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
427.368g/mol
Monoisotopic Mass:
427.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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