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119704-09-5 | 2(3H)-Benzofuranone, hexahydro-3-[(phenylthio)(trimethylsilyl)methyl]-
CAS No: 119704-09-5 Catalog No: AG000PHE MDL No:
Product Description
Catalog Number:
AG000PHE
Chemical Name:
2(3H)-Benzofuranone, hexahydro-3-[(phenylthio)(trimethylsilyl)methyl]-
CAS Number:
119704-09-5
Molecular Formula:
C18H26O2SSi
Molecular Weight:
334.5483
IUPAC Name:
3-[phenylsulfanyl(trimethylsilyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
InChI:
InChI=1S/C18H26O2SSi/c1-22(2,3)18(21-13-9-5-4-6-10-13)16-14-11-7-8-12-15(14)20-17(16)19/h4-6,9-10,14-16,18H,7-8,11-12H2,1-3H3
InChI Key:
FWPAZCZRBVFEOP-UHFFFAOYSA-N
SMILES:
O=C1OC2C(C1C([Si](C)(C)C)Sc1ccccc1)CCCC2
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.549g/mol
Monoisotopic Mass:
334.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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