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Home > Indoles and Oxindole > 832730-58-2
832730-58-2 | 2-(1,3-Dihydroxypropan-2-yl)isoindoline-1,3-dione
CAS No: 832730-58-2 Catalog No: AG004XWC MDL No:MFCD00686639
Product Description
Catalog Number:
AG004XWC
Chemical Name:
2-(1,3-Dihydroxypropan-2-yl)isoindoline-1,3-dione
CAS Number:
832730-58-2
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
MDL Number:
MFCD00686639
IUPAC Name:
2-(1,3-dihydroxypropan-2-yl)isoindole-1,3-dione
InChI:
InChI=1S/C11H11NO4/c13-5-7(6-14)12-10(15)8-3-1-2-4-9(8)11(12)16/h1-4,7,13-14H,5-6H2
InChI Key:
NYNGWADTWJVQBE-UHFFFAOYSA-N
SMILES:
OCC(N1C(=O)c2c(C1=O)cccc2)CO
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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