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139111-43-6 | Ethanone, 1-[4-(1-pyrenyl)phenyl]-
CAS No: 139111-43-6 Catalog No: AG001ABB MDL No:
Product Description
Catalog Number:
AG001ABB
Chemical Name:
Ethanone, 1-[4-(1-pyrenyl)phenyl]-
CAS Number:
139111-43-6
Molecular Formula:
C24H16O
Molecular Weight:
320.3832
IUPAC Name:
1-(4-pyren-1-ylphenyl)ethanone
InChI:
InChI=1S/C24H16O/c1-15(25)16-5-7-17(8-6-16)21-13-11-20-10-9-18-3-2-4-19-12-14-22(21)24(20)23(18)19/h2-14H,1H3
InChI Key:
GNELXJURMSMVMF-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)c1ccc2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.12g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.391g/mol
Monoisotopic Mass:
320.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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