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Home > Indoles and Oxindole > 143741-67-7
143741-67-7 | 1H-Isoindole-1,3(2H)-dione, 2-(4-phenyl-3-buten-1-yl)-
CAS No: 143741-67-7 Catalog No: AG001IBF MDL No:
Product Description
Catalog Number:
AG001IBF
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(4-phenyl-3-buten-1-yl)-
CAS Number:
143741-67-7
Molecular Formula:
C18H15NO2
Molecular Weight:
277.3172
IUPAC Name:
2-(4-phenylbut-3-enyl)isoindole-1,3-dione
InChI:
InChI=1S/C18H15NO2/c20-17-15-11-4-5-12-16(15)18(21)19(17)13-7-6-10-14-8-2-1-3-9-14/h1-6,8-12H,7,13H2
InChI Key:
DORKDNPQZDMUGX-UHFFFAOYSA-N
SMILES:
O=C1N(CCC=Cc2ccccc2)C(=O)c2c1cccc2
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.323g/mol
Monoisotopic Mass:
277.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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