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189954-16-3 | 2(5H)-Furanone, 5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-3-phenoxy-
CAS No: 189954-16-3 Catalog No: AG002E6G MDL No:
Product Description
Catalog Number:
AG002E6G
Chemical Name:
2(5H)-Furanone, 5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-3-phenoxy-
CAS Number:
189954-16-3
Molecular Formula:
C19H18O5S
Molecular Weight:
358.4082
IUPAC Name:
5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-phenoxyfuran-2-one
InChI:
InChI=1S/C19H18O5S/c1-19(2)16(13-9-11-15(12-10-13)25(3,21)22)17(18(20)24-19)23-14-7-5-4-6-8-14/h4-12H,1-3H3
InChI Key:
OEUFTIBZEDUUCK-UHFFFAOYSA-N
SMILES:
O=C1OC(C(=C1Oc1ccccc1)c1ccc(cc1)S(=O)(=O)C)(C)C
Properties
Complexity:
642
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.087g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.408g/mol
Monoisotopic Mass:
358.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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