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Home > Other Building Blocks > 88065-33-2
88065-33-2 | 3-Octanone, 7-methyl-4-(phenylthio)-
CAS No: 88065-33-2 Catalog No: AG004EYK MDL No:
Product Description
Catalog Number:
AG004EYK
Chemical Name:
3-Octanone, 7-methyl-4-(phenylthio)-
CAS Number:
88065-33-2
Molecular Formula:
C15H22OS
Molecular Weight:
250.3996
IUPAC Name:
7-methyl-4-phenylsulfanyloctan-3-one
InChI:
InChI=1S/C15H22OS/c1-4-14(16)15(11-10-12(2)3)17-13-8-6-5-7-9-13/h5-9,12,15H,4,10-11H2,1-3H3
InChI Key:
PREBYINLLFXKFB-UHFFFAOYSA-N
SMILES:
CCC(=O)C(Sc1ccccc1)CCC(C)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.139g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.4g/mol
Monoisotopic Mass:
250.139g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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