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827344-29-6 | 2-Oxazolidinone, 4-ethyl-4-[2-(3-methyl-2-thienyl)ethyl]-, (4R)-
CAS No: 827344-29-6 Catalog No: AG005834 MDL No:
Product Description
Catalog Number:
AG005834
Chemical Name:
2-Oxazolidinone, 4-ethyl-4-[2-(3-methyl-2-thienyl)ethyl]-, (4R)-
CAS Number:
827344-29-6
Molecular Formula:
C12H17NO2S
Molecular Weight:
239.3339
IUPAC Name:
(4R)-4-ethyl-4-[2-(3-methylthiophen-2-yl)ethyl]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C12H17NO2S/c1-3-12(8-15-11(14)13-12)6-4-10-9(2)5-7-16-10/h5,7H,3-4,6,8H2,1-2H3,(H,13,14)/t12-/m1/s1
InChI Key:
APOKKRVIKGCCQT-GFCCVEGCSA-N
SMILES:
CC[C@]1(COC(=O)N1)CCc1sccc1C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
239.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.333g/mol
Monoisotopic Mass:
239.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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