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115714-77-7 | 2(5H)-Furanone, 5-(phenylmethylene)-4-(phenylthio)-, (Z)- (9CI)
CAS No: 115714-77-7 Catalog No: AG000GSU MDL No:
Product Description
Catalog Number:
AG000GSU
Chemical Name:
2(5H)-Furanone, 5-(phenylmethylene)-4-(phenylthio)-, (Z)- (9CI)
CAS Number:
115714-77-7
Molecular Formula:
C17H12O2S
Molecular Weight:
280.3410
IUPAC Name:
5-benzylidene-4-phenylsulfanylfuran-2-one
InChI:
InChI=1S/C17H12O2S/c18-17-12-16(20-14-9-5-2-6-10-14)15(19-17)11-13-7-3-1-4-8-13/h1-12H
InChI Key:
GNCXXLQBHIIIOE-UHFFFAOYSA-N
SMILES:
O=C1C=C(/C(=C/c2ccccc2)/O1)Sc1ccccc1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.056g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.341g/mol
Monoisotopic Mass:
280.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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