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116047-03-1 | 4-Cyclopentene-1,3-dione, 2-(2,3-diphenyl-2-cyclopropen-1-ylidene)-
CAS No: 116047-03-1 Catalog No: AG000BHM MDL No:
Product Description
Catalog Number:
AG000BHM
Chemical Name:
4-Cyclopentene-1,3-dione, 2-(2,3-diphenyl-2-cyclopropen-1-ylidene)-
CAS Number:
116047-03-1
Molecular Formula:
C20H12O2
Molecular Weight:
284.3081
IUPAC Name:
2-(2,3-diphenylcycloprop-2-en-1-ylidene)cyclopent-4-ene-1,3-dione
InChI:
InChI=1S/C20H12O2/c21-15-11-12-16(22)19(15)20-17(13-7-3-1-4-8-13)18(20)14-9-5-2-6-10-14/h1-12H
InChI Key:
IPGNHALCCQEZIF-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)C1=C1C(=C1c1ccccc1)c1ccccc1
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.314g/mol
Monoisotopic Mass:
284.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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