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Home > Indoles and Oxindole > 136613-13-3
136613-13-3 | 1H-Isoindole-1,3(2H)-dione, 2-[(1Z)-2-phenylethenyl]-
CAS No: 136613-13-3 Catalog No: AG001256 MDL No:
Product Description
Catalog Number:
AG001256
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(1Z)-2-phenylethenyl]-
CAS Number:
136613-13-3
Molecular Formula:
C16H11NO2
Molecular Weight:
249.2640
IUPAC Name:
2-(2-phenylethenyl)isoindole-1,3-dione
InChI:
InChI=1S/C16H11NO2/c18-15-13-8-4-5-9-14(13)16(19)17(15)11-10-12-6-2-1-3-7-12/h1-11H
InChI Key:
WAYYQTOFXYMTHX-UHFFFAOYSA-N
SMILES:
O=C1N(/C=C\c2ccccc2)C(=O)c2c1cccc2
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.269g/mol
Monoisotopic Mass:
249.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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