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79681-41-7 | 9-Decen-5-one, 7,7-dimethyl-10-(phenylthio)-
CAS No: 79681-41-7 Catalog No: AG0057BD MDL No:
Product Description
Catalog Number:
AG0057BD
Chemical Name:
9-Decen-5-one, 7,7-dimethyl-10-(phenylthio)-
CAS Number:
79681-41-7
Molecular Formula:
C18H26OS
Molecular Weight:
290.4634
IUPAC Name:
7,7-dimethyl-10-phenylsulfanyldec-9-en-5-one
InChI:
InChI=1S/C18H26OS/c1-4-5-10-16(19)15-18(2,3)13-9-14-20-17-11-7-6-8-12-17/h6-9,11-12,14H,4-5,10,13,15H2,1-3H3
InChI Key:
PWRPPTPHUADEGE-UHFFFAOYSA-N
SMILES:
CCCCC(=O)CC(CC=CSc1ccccc1)(C)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.17g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.465g/mol
Monoisotopic Mass:
290.17g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.3
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