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127911-56-2 | 2-Cyclohexen-1-one, 3-[(4-methylphenyl)thio]-5-(trimethylsilyl)-, (5S)-
CAS No: 127911-56-2 Catalog No: AG000XKU MDL No:
Product Description
Catalog Number:
AG000XKU
Chemical Name:
2-Cyclohexen-1-one, 3-[(4-methylphenyl)thio]-5-(trimethylsilyl)-, (5S)-
CAS Number:
127911-56-2
Molecular Formula:
C16H22OSSi
Molecular Weight:
290.4958
IUPAC Name:
3-(4-methylphenyl)sulfanyl-5-trimethylsilylcyclohex-2-en-1-one
InChI:
InChI=1S/C16H22OSSi/c1-12-5-7-14(8-6-12)18-15-9-13(17)10-16(11-15)19(2,3)4/h5-9,16H,10-11H2,1-4H3
InChI Key:
OLFRHWJENOIIPA-UHFFFAOYSA-N
SMILES:
O=C1C=C(Sc2ccc(cc2)C)C[C@H](C1)[Si](C)(C)C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.496g/mol
Monoisotopic Mass:
290.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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