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85273-29-6 | 1,3,3-triphenylbutan-1-one
CAS No: 85273-29-6 Catalog No: AG004V0J MDL No:
Product Description
Catalog Number:
AG004V0J
Chemical Name:
1,3,3-triphenylbutan-1-one
CAS Number:
85273-29-6
Molecular Formula:
C22H20O
Molecular Weight:
300.3936
IUPAC Name:
1,3,3-triphenylbutan-1-one
InChI:
InChI=1S/C22H20O/c1-22(19-13-7-3-8-14-19,20-15-9-4-10-16-20)17-21(23)18-11-5-2-6-12-18/h2-16H,17H2,1H3
InChI Key:
CETUFDGVYUGOKF-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC(c1ccccc1)(c1ccccc1)C
NSC Number:
17542
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.151g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.401g/mol
Monoisotopic Mass:
300.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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