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87830-93-1 | Ethanedione, 2-biphenylenylphenyl-
CAS No: 87830-93-1 Catalog No: AG004H7K MDL No:
Product Description
Catalog Number:
AG004H7K
Chemical Name:
Ethanedione, 2-biphenylenylphenyl-
CAS Number:
87830-93-1
Molecular Formula:
C20H12O2
Molecular Weight:
284.3081
IUPAC Name:
2-(2-biphenylen-1-ylphenyl)-2-oxoacetaldehyde
InChI:
InChI=1S/C20H12O2/c21-12-19(22)15-8-3-1-6-13(15)17-10-5-11-18-14-7-2-4-9-16(14)20(17)18/h1-12H
InChI Key:
AIOWWMXNLZRWJL-UHFFFAOYSA-N
SMILES:
O=CC(=O)c1ccccc1c1cccc2c1c1c2cccc1
Properties
Complexity:
443
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:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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