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76299-64-4 | 5-methyl-5-phenyl-3-[(phenylsulfanyl)methyl]furan-2(5h)-one
CAS No: 76299-64-4 Catalog No: AG0056HY MDL No:
Product Description
Catalog Number:
AG0056HY
Chemical Name:
5-methyl-5-phenyl-3-[(phenylsulfanyl)methyl]furan-2(5h)-one
CAS Number:
76299-64-4
Molecular Formula:
C18H16O2S
Molecular Weight:
296.3834
IUPAC Name:
5-methyl-5-phenyl-3-(phenylsulfanylmethyl)furan-2-one
InChI:
InChI=1S/C18H16O2S/c1-18(15-8-4-2-5-9-15)12-14(17(19)20-18)13-21-16-10-6-3-7-11-16/h2-12H,13H2,1H3
InChI Key:
RNRALEBCTXCMSM-UHFFFAOYSA-N
SMILES:
O=C1OC(C=C1CSc1ccccc1)(C)c1ccccc1
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.087g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.384g/mol
Monoisotopic Mass:
296.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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