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141693-92-7 | 1,3-Butanedione, 1-phenyl-2,2-bis(phenylmethyl)-
CAS No: 141693-92-7 Catalog No: AG001GWL MDL No:
Product Description
Catalog Number:
AG001GWL
Chemical Name:
1,3-Butanedione, 1-phenyl-2,2-bis(phenylmethyl)-
CAS Number:
141693-92-7
Molecular Formula:
C24H22O2
Molecular Weight:
342.4303
IUPAC Name:
2,2-dibenzyl-1-phenylbutane-1,3-dione
InChI:
InChI=1S/C24H22O2/c1-19(25)24(17-20-11-5-2-6-12-20,18-21-13-7-3-8-14-21)23(26)22-15-9-4-10-16-22/h2-16H,17-18H2,1H3
InChI Key:
LPVBWLNPBJTBLE-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=O)c1ccccc1)(Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.162g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.438g/mol
Monoisotopic Mass:
342.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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