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114659-96-0 | 1H-Isoindole-1,3(2H)-dione, 2-[5-(acetyloxy)-2-oxopentyl]-
CAS No: 114659-96-0 Catalog No: AG000EYQ MDL No:
Product Description
Catalog Number:
AG000EYQ
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[5-(acetyloxy)-2-oxopentyl]-
CAS Number:
114659-96-0
Molecular Formula:
C15H15NO5
Molecular Weight:
289.2833
IUPAC Name:
[5-(1,3-dioxoisoindol-2-yl)-4-oxopentyl] acetate
InChI:
InChI=1S/C15H15NO5/c1-10(17)21-8-4-5-11(18)9-16-14(19)12-6-2-3-7-13(12)15(16)20/h2-3,6-7H,4-5,8-9H2,1H3
InChI Key:
IILIRPBXQKLDGL-UHFFFAOYSA-N
SMILES:
O=C(CN1C(=O)c2c(C1=O)cccc2)CCCOC(=O)C
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.287g/mol
Monoisotopic Mass:
289.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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