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Home > Indoles and Oxindole > 114639-99-5
114639-99-5 | 1H-Isoindole-1,3(2H)-dione, 2,2'-methylenebis[5-hydroxy-
CAS No: 114639-99-5 Catalog No: AG000EWV MDL No:
Product Description
Catalog Number:
AG000EWV
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2,2'-methylenebis[5-hydroxy-
CAS Number:
114639-99-5
Molecular Formula:
C17H10N2O6
Molecular Weight:
338.2711
IUPAC Name:
5-hydroxy-2-[(5-hydroxy-1,3-dioxoisoindol-2-yl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C17H10N2O6/c20-8-1-3-10-12(5-8)16(24)18(14(10)22)7-19-15(23)11-4-2-9(21)6-13(11)17(19)25/h1-6,20-21H,7H2
InChI Key:
UBEFAAOQBUPJEP-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)C(=O)N(C2=O)CN1C(=O)c2c(C1=O)cc(cc2)O
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.054g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.275g/mol
Monoisotopic Mass:
338.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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