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918121-83-2 | 2-Oxazolidinone, 5-[(3,5-dimethylphenoxy)methyl]-, (5R)-
CAS No: 918121-83-2 Catalog No: AG006LI9 MDL No:
Product Description
Catalog Number:
AG006LI9
Chemical Name:
2-Oxazolidinone, 5-[(3,5-dimethylphenoxy)methyl]-, (5R)-
CAS Number:
918121-83-2
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
(5R)-5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)/t11-/m1/s1
InChI Key:
IMWZZHHPURKASS-LLVKDONJSA-N
SMILES:
O=C1NC[C@@H](O1)COc1cc(C)cc(c1)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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