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Home > Indoles and Oxindole > 78931-05-2
78931-05-2 | 1H-Isoindole-1,3(2H)-dione, 2-[(tetrahydro-2-oxo-3-furanyl)oxy]-
CAS No: 78931-05-2 Catalog No: AG0054KJ MDL No:
Product Description
Catalog Number:
AG0054KJ
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(tetrahydro-2-oxo-3-furanyl)oxy]-
CAS Number:
78931-05-2
Molecular Formula:
C12H9NO5
Molecular Weight:
247.2036
IUPAC Name:
2-(2-oxooxolan-3-yl)oxyisoindole-1,3-dione
InChI:
InChI=1S/C12H9NO5/c14-10-7-3-1-2-4-8(7)11(15)13(10)18-9-5-6-17-12(9)16/h1-4,9H,5-6H2
InChI Key:
AYTOSMACNLSHJY-UHFFFAOYSA-N
SMILES:
O=C1N(OC2CCOC2=O)C(=O)c2c1cccc2
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.206g/mol
Monoisotopic Mass:
247.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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