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Home > Indoles and Oxindole > 100727-30-8
100727-30-8 | 1H-Isoindole-1,3(2H)-dione, 2-(2-cyclopenten-1-yl)-
CAS No: 100727-30-8 Catalog No: AG0002QB MDL No:
Product Description
Catalog Number:
AG0002QB
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(2-cyclopenten-1-yl)-
CAS Number:
100727-30-8
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
IUPAC Name:
2-cyclopent-2-en-1-ylisoindole-1,3-dione
InChI:
InChI=1S/C13H11NO2/c15-12-10-7-3-4-8-11(10)13(16)14(12)9-5-1-2-6-9/h1,3-5,7-9H,2,6H2
InChI Key:
AHPMKYXDPNFYIM-UHFFFAOYSA-N
SMILES:
O=C1N(C2CCC=C2)C(=O)c2c1cccc2
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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