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101267-05-4 | 1-Hexanone, 1-[4-(methylthio)phenyl]-
CAS No: 101267-05-4 Catalog No: AG00043Y MDL No:
Product Description
Catalog Number:
AG00043Y
Chemical Name:
1-Hexanone, 1-[4-(methylthio)phenyl]-
CAS Number:
101267-05-4
Molecular Formula:
C13H18OS
Molecular Weight:
222.3464
IUPAC Name:
1-(4-methylsulfanylphenyl)hexan-1-one
InChI:
InChI=1S/C13H18OS/c1-3-4-5-6-13(14)11-7-9-12(15-2)10-8-11/h7-10H,3-6H2,1-2H3
InChI Key:
LQLMRALVOIPABS-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)c1ccc(cc1)SC
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.108g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.346g/mol
Monoisotopic Mass:
222.108g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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