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88051-62-1 | 4-Oxazolidinone, 5-methyl-5-phenyl-3-(phenylmethoxy)-2-thioxo-
CAS No: 88051-62-1 Catalog No: AG004IIA MDL No:
Product Description
Catalog Number:
AG004IIA
Chemical Name:
4-Oxazolidinone, 5-methyl-5-phenyl-3-(phenylmethoxy)-2-thioxo-
CAS Number:
88051-62-1
Molecular Formula:
C17H15NO3S
Molecular Weight:
313.3709
IUPAC Name:
5-methyl-5-phenyl-3-phenylmethoxy-2-sulfanylidene-1,3-oxazolidin-4-one
InChI:
InChI=1S/C17H15NO3S/c1-17(14-10-6-3-7-11-14)15(19)18(16(22)21-17)20-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3
InChI Key:
AUFYGNAEXSCDSM-UHFFFAOYSA-N
SMILES:
S=C1OC(C(=O)N1OCc1ccccc1)(C)c1ccccc1
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.077g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.371g/mol
Monoisotopic Mass:
313.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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