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162012-30-8 | 2(5H)-Furanone, 4-[4-(methylthio)phenyl]-3-phenyl-
CAS No: 162012-30-8 Catalog No: AG001SMQ MDL No:
Product Description
Catalog Number:
AG001SMQ
Chemical Name:
2(5H)-Furanone, 4-[4-(methylthio)phenyl]-3-phenyl-
CAS Number:
162012-30-8
Molecular Formula:
C17H14O2S
Molecular Weight:
282.3569
IUPAC Name:
3-(4-methylsulfanylphenyl)-4-phenyl-2H-furan-5-one
InChI:
InChI=1S/C17H14O2S/c1-20-14-9-7-12(8-10-14)15-11-19-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChI Key:
UZLXCHVDUBCZMH-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
NSC Number:
727210
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.071g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.357g/mol
Monoisotopic Mass:
282.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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