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1189998-94-4 | 3-(tert-Butyl-d9)-5-[7-(hydroxyethyl)-2-benzofuranyl]-2-oxazolidinone(MixtureofDiastereomers)
CAS No: 1189998-94-4 Catalog No: AG01E00N MDL No:
Product Description
Catalog Number:
AG01E00N
Chemical Name:
3-(tert-Butyl-d9)-5-[7-(hydroxyethyl)-2-benzofuranyl]-2-oxazolidinone(MixtureofDiastereomers)
CAS Number:
1189998-94-4
IUPAC Name:
3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-[7-(1-hydroxyethyl)-1-benzofuran-2-yl]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C17H21NO4/c1-10(19)12-7-5-6-11-8-13(21-15(11)12)14-9-18(16(20)22-14)17(2,3)4/h5-8,10,14,19H,9H2,1-4H3/i2D3,3D3,4D3
InChI Key:
NSCGUYORSXNXSZ-WVZRYRIDSA-N
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.204g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
9
Molecular Weight:
312.413g/mol
Monoisotopic Mass:
312.204g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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