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Home > Indoles and Oxindole > 104160-47-6
104160-47-6 | 1H-Isoindole-1,3(2H)-dione, 2-[(4-oxo-2-azetidinyl)oxy]-
CAS No: 104160-47-6 Catalog No: AG007WEA MDL No:
Product Description
Catalog Number:
AG007WEA
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(4-oxo-2-azetidinyl)oxy]-
CAS Number:
104160-47-6
Molecular Formula:
C11H8N2O4
Molecular Weight:
232.1922
IUPAC Name:
2-(4-oxoazetidin-2-yl)oxyisoindole-1,3-dione
InChI:
InChI=1S/C11H8N2O4/c14-8-5-9(12-8)17-13-10(15)6-3-1-2-4-7(6)11(13)16/h1-4,9H,5H2,(H,12,14)
InChI Key:
FZXSYJQTTAOJDT-UHFFFAOYSA-N
SMILES:
O=C1N(OC2CC(=O)N2)C(=O)c2c1cccc2
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.195g/mol
Monoisotopic Mass:
232.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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