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Home > Indoles and Oxindole > 112028-96-3
112028-96-3 | 1H-Isoindole-1,3(2H)-dione, 2-(3-cyclopenten-1-yloxy)-
CAS No: 112028-96-3 Catalog No: AG007UWP MDL No:
Product Description
Catalog Number:
AG007UWP
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(3-cyclopenten-1-yloxy)-
CAS Number:
112028-96-3
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
IUPAC Name:
2-cyclopent-3-en-1-yloxyisoindole-1,3-dione
InChI:
InChI=1S/C13H11NO3/c15-12-10-7-3-4-8-11(10)13(16)14(12)17-9-5-1-2-6-9/h1-4,7-9H,5-6H2
InChI Key:
PBVSHZLXURFLDY-UHFFFAOYSA-N
SMILES:
O=C1N(OC2CC=CC2)C(=O)c2c1cccc2
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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