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Home > Indoles and Oxindole > 16652-95-2
16652-95-2 | 1H-Isoindole-1,3(2H)-dione, 2-[(3S)-tetrahydro-2,5-dioxo-3-furanyl]-
CAS No: 16652-95-2 Catalog No: AG001WTE MDL No:
Product Description
Catalog Number:
AG001WTE
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(3S)-tetrahydro-2,5-dioxo-3-furanyl]-
CAS Number:
16652-95-2
Molecular Formula:
C12H7NO5
Molecular Weight:
245.1877
IUPAC Name:
2-[(3S)-2,5-dioxooxolan-3-yl]isoindole-1,3-dione
InChI:
InChI=1S/C12H7NO5/c14-9-5-8(12(17)18-9)13-10(15)6-3-1-2-4-7(6)11(13)16/h1-4,8H,5H2/t8-/m0/s1
InChI Key:
WPBHZDLGZBIMLD-QMMMGPOBSA-N
SMILES:
O=C1N([C@H]2CC(=O)OC2=O)C(=O)c2c1cccc2
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
245.032g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.19g/mol
Monoisotopic Mass:
245.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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