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15104-20-8 | 2,4-Pentanedione, 3-(2,3-diphenyl-2-cyclopropen-1-ylidene)-
CAS No: 15104-20-8 Catalog No: AG001N1B MDL No:
Product Description
Catalog Number:
AG001N1B
Chemical Name:
2,4-Pentanedione, 3-(2,3-diphenyl-2-cyclopropen-1-ylidene)-
CAS Number:
15104-20-8
Molecular Formula:
C20H16O2
Molecular Weight:
288.3398
IUPAC Name:
3-(2,3-diphenylcycloprop-2-en-1-ylidene)pentane-2,4-dione
InChI:
InChI=1S/C20H16O2/c1-13(21)17(14(2)22)20-18(15-9-5-3-6-10-15)19(20)16-11-7-4-8-12-16/h3-12H,1-2H3
InChI Key:
UEYGMXFPTSVVMK-UHFFFAOYSA-N
SMILES:
CC(=O)C(=C1C(=C1c1ccccc1)c1ccccc1)C(=O)C
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.115g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.346g/mol
Monoisotopic Mass:
288.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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