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259529-54-9 | 2-Oxazolidinone, 3-(1-oxo-2-propen-1-yl)-4-phenyl-, (4S)-
CAS No: 259529-54-9 Catalog No: AG002R6K MDL No:
Product Description
Catalog Number:
AG002R6K
Chemical Name:
2-Oxazolidinone, 3-(1-oxo-2-propen-1-yl)-4-phenyl-, (4S)-
CAS Number:
259529-54-9
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
(4S)-4-phenyl-3-prop-2-enoyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C12H11NO3/c1-2-11(14)13-10(8-16-12(13)15)9-6-4-3-5-7-9/h2-7,10H,1,8H2/t10-/m1/s1
InChI Key:
ZEMBIEOHPGGQNJ-SNVBAGLBSA-N
SMILES:
C=CC(=O)N1C(=O)OC[C@@H]1c1ccccc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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