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161632-59-3 | 1H-Pyrrole-2,5-dione, 1-(4-ethenylphenyl)-3-phenyl-
CAS No: 161632-59-3 Catalog No: AG001VRE MDL No:
Product Description
Catalog Number:
AG001VRE
Chemical Name:
1H-Pyrrole-2,5-dione, 1-(4-ethenylphenyl)-3-phenyl-
CAS Number:
161632-59-3
Molecular Formula:
C18H13NO2
Molecular Weight:
275.3013
IUPAC Name:
1-(4-ethenylphenyl)-3-phenylpyrrole-2,5-dione
InChI:
InChI=1S/C18H13NO2/c1-2-13-8-10-15(11-9-13)19-17(20)12-16(18(19)21)14-6-4-3-5-7-14/h2-12H,1H2
InChI Key:
JPOUNPRPOSIILU-UHFFFAOYSA-N
SMILES:
C=Cc1ccc(cc1)N1C(=O)C=C(C1=O)c1ccccc1
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.307g/mol
Monoisotopic Mass:
275.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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