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Home > Indoles and Oxindole > 882168-13-0
882168-13-0 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(oxiranyloxy)ethyl]-
CAS No: 882168-13-0 Catalog No: AG004DHJ MDL No:
Product Description
Catalog Number:
AG004DHJ
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(oxiranyloxy)ethyl]-
CAS Number:
882168-13-0
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
2-[2-(oxiran-2-yloxy)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C12H11NO4/c14-11-8-3-1-2-4-9(8)12(15)13(11)5-6-16-10-7-17-10/h1-4,10H,5-7H2
InChI Key:
QAEYURANKUVTAQ-UHFFFAOYSA-N
SMILES:
O=C1N(CCOC2OC2)C(=O)c2c1cccc2
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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