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1454-59-7

1454-59-7 | 1-Hexanone, 1,3-diphenyl-

CAS No: 1454-59-7 Catalog No: AG001KVE MDL No:

Product Description

Catalog Number:
AG001KVE
Chemical Name:
1-Hexanone, 1,3-diphenyl-
CAS Number:
1454-59-7
Molecular Formula:
C18H20O
Molecular Weight:
252.3508
IUPAC Name:
1,3-diphenylhexan-1-one
InChI:
InChI=1S/C18H20O/c1-2-9-17(15-10-5-3-6-11-15)14-18(19)16-12-7-4-8-13-16/h3-8,10-13,17H,2,9,14H2,1H3
InChI Key:
KMHGKMUWTUDYGW-UHFFFAOYSA-N
SMILES:
CCCC(c1ccccc1)CC(=O)c1ccccc1

Properties

Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.151g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.357g/mol
Monoisotopic Mass:
252.151g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  

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