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17792-67-5

17792-67-5 | 1-Octanone, 1-[4-(phenylthio)phenyl]-

CAS No: 17792-67-5 Catalog No: AG0025MI MDL No:

Product Description

Catalog Number:
AG0025MI
Chemical Name:
1-Octanone, 1-[4-(phenylthio)phenyl]-
CAS Number:
17792-67-5
Molecular Formula:
C20H24OS
Molecular Weight:
312.4690
IUPAC Name:
1-phenyl-4-phenylsulfanyloctan-1-one
InChI:
InChI=1S/C20H24OS/c1-2-3-12-19(22-18-13-8-5-9-14-18)15-16-20(21)17-10-6-4-7-11-17/h4-11,13-14,19H,2-3,12,15-16H2,1H3
InChI Key:
OLDDXWUOAAPWJN-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)c1ccc(cc1)Sc1ccccc1

Properties

Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.155g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.471g/mol
Monoisotopic Mass:
312.155g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
6  

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