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188559-05-9 | 2-Oxazolidinone, 3-[(2E)-1-oxo-2-penten-1-yl]-4-phenyl-, (4R)-
CAS No: 188559-05-9 Catalog No: AG002GYS MDL No:MFCD11046479
Product Description
Catalog Number:
AG002GYS
Chemical Name:
2-Oxazolidinone, 3-[(2E)-1-oxo-2-penten-1-yl]-4-phenyl-, (4R)-
CAS Number:
188559-05-9
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
MDL Number:
MFCD11046479
IUPAC Name:
(4R)-3-[(E)-pent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C14H15NO3/c1-2-3-9-13(16)15-12(10-18-14(15)17)11-7-5-4-6-8-11/h3-9,12H,2,10H2,1H3/b9-3+/t12-/m0/s1
InChI Key:
IIIXNQYVSNHXHJ-KBNZMGLGSA-N
SMILES:
CC/C=C/C(=O)N1C(=O)OC[C@H]1c1ccccc1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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