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88051-66-5 | 4-Oxazolidinone, 3-hydroxy-5-methyl-5-(phenylmethyl)-2-thioxo-
CAS No: 88051-66-5 Catalog No: AG004LOK MDL No:
Product Description
Catalog Number:
AG004LOK
Chemical Name:
4-Oxazolidinone, 3-hydroxy-5-methyl-5-(phenylmethyl)-2-thioxo-
CAS Number:
88051-66-5
Molecular Formula:
C11H11NO3S
Molecular Weight:
237.2749
IUPAC Name:
5-benzyl-3-hydroxy-5-methyl-2-sulfanylidene-1,3-oxazolidin-4-one
InChI:
InChI=1S/C11H11NO3S/c1-11(7-8-5-3-2-4-6-8)9(13)12(14)10(16)15-11/h2-6,14H,7H2,1H3
InChI Key:
ZKTBHEOFMJRPIQ-UHFFFAOYSA-N
SMILES:
ON1C(=S)OC(C1=O)(C)Cc1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.273g/mol
Monoisotopic Mass:
237.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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