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Home > Indoles and Oxindole > 114506-93-3
114506-93-3 | 1H-Isoindole-1,3(2H)-dione, 2-(3-phenyl-2-cyclohexen-1-yl)-
CAS No: 114506-93-3 Catalog No: AG000ELH MDL No:
Product Description
Catalog Number:
AG000ELH
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(3-phenyl-2-cyclohexen-1-yl)-
CAS Number:
114506-93-3
Molecular Formula:
C20H17NO2
Molecular Weight:
303.3545
IUPAC Name:
2-(3-phenylcyclohex-2-en-1-yl)isoindole-1,3-dione
InChI:
InChI=1S/C20H17NO2/c22-19-17-11-4-5-12-18(17)20(23)21(19)16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-5,7-8,11-13,16H,6,9-10H2
InChI Key:
VVAVKJXXLXYPOL-UHFFFAOYSA-N
SMILES:
O=C1N(C2CCCC(=C2)c2ccccc2)C(=O)c2c1cccc2
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.126g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.361g/mol
Monoisotopic Mass:
303.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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