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1061604-41-8 | 3-(4-hydroxy-1-oxo-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CAS No: 1061604-41-8 Catalog No: AG003AJ7 MDL No:
Product Description
Catalog Number:
AG003AJ7
Chemical Name:
3-(4-hydroxy-1-oxo-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CAS Number:
1061604-41-8
Molecular Formula:
C13H12N2O4
Molecular Weight:
260.2454
IUPAC Name:
3-(7-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
InChI:
InChI=1S/C13H12N2O4/c16-10-3-1-2-7-8(10)6-15(13(7)19)9-4-5-11(17)14-12(9)18/h1-3,9,16H,4-6H2,(H,14,17,18)
InChI Key:
HGPRKOYQOBYISD-UHFFFAOYSA-N
SMILES:
O=C1CCC(C(=O)N1)N1Cc2c(C1=O)cccc2O
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.249g/mol
Monoisotopic Mass:
260.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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