Home Other Building Blocks 1,4-diphenylbutan-2-one

1,4-diphenylbutan-2-one

CAS No.:
37985-17-4
Catalog Number:
AG01AAVQ
Molecular Formula:
C16H16O
Molecular Weight:
224.2976
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Product Description
Catalog Number:
AG01AAVQ
Chemical Name:
1,4-diphenylbutan-2-one
CAS Number:
37985-17-4
Molecular Formula:
C16H16O
Molecular Weight:
224.2976
MDL Number:
MFCD05149240
IUPAC Name:
1,4-diphenylbutan-2-one
InChI:
InChI=1S/C16H16O/c17-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10H,11-13H2
InChI Key:
PFJFIFJKDPIALO-UHFFFAOYSA-N
SMILES:
O=C(Cc1ccccc1)CCc1ccccc1
Properties
Complexity:
222  
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:
5  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties