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Home Other Building Blocks 1,3-Diphenylbutan-1-one

1,3-Diphenylbutan-1-one

CAS No.:
1533-20-6
Catalog Number:
AG003DKW
Molecular Formula:
C16H16O
Molecular Weight:
224.2976
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$250
- +
5g
1 week
United States
$835
- +
10g
1 week
United States
$1589
- +
25g
1 week
United States
$3144
- +
Product Description
Catalog Number:
AG003DKW
Chemical Name:
1,3-Diphenylbutan-1-one
CAS Number:
1533-20-6
Molecular Formula:
C16H16O
Molecular Weight:
224.2976
MDL Number:
MFCD00026345
IUPAC Name:
1,3-diphenylbutan-1-one
InChI:
InChI=1S/C16H16O/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChI Key:
GIVFXLVPKFXTCU-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)CC(=O)c1ccccc1
NSC Number:
401995
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.12g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.303g/mol
Monoisotopic Mass:
224.12g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Monitoring structural transformations in crystals. 13. On photocyclization in 2,3,4,5,6-pentamethylbenzophenone, 1,3-diphenylbutan-1-one and 2,4,6-triisopropyl-4'-methoxybenzophenone. Acta crystallographica. Section C, Crystal structure communications 20100101
Properties