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128440-43-7 | 2-Oxazolidinone, 4-methyl-3-(1-oxo-2-butenyl)-5-phenyl-, [4S-[3(E),4α,5α]]- (9CI)
CAS No: 128440-43-7 Catalog No: AG000Y34 MDL No:
Product Description
Catalog Number:
AG000Y34
Chemical Name:
2-Oxazolidinone, 4-methyl-3-(1-oxo-2-butenyl)-5-phenyl-, [4S-[3(E),4α,5α]]- (9CI)
CAS Number:
128440-43-7
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
(4S,5R)-3-[(E)-but-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C14H15NO3/c1-3-7-12(16)15-10(2)13(18-14(15)17)11-8-5-4-6-9-11/h3-10,13H,1-2H3/b7-3+/t10-,13-/m0/s1
InChI Key:
OWXHDOIFLLGSQV-IPWYWCKCSA-N
SMILES:
C/C=C/C(=O)N1C(=O)O[C@@H]([C@@H]1C)c1ccccc1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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