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109853-54-5 | 2-Oxazolidinone, 3-(1-oxo-3-phenyl-2-propenyl)-
CAS No: 109853-54-5 Catalog No: AG007WDO MDL No:
Product Description
Catalog Number:
AG007WDO
Chemical Name:
2-Oxazolidinone, 3-(1-oxo-3-phenyl-2-propenyl)-
CAS Number:
109853-54-5
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C12H11NO3/c14-11(13-8-9-16-12(13)15)7-6-10-4-2-1-3-5-10/h1-7H,8-9H2
InChI Key:
MZFIOCKXBSMAKY-UHFFFAOYSA-N
SMILES:
O=C1OCCN1C(=O)C=Cc1ccccc1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Unprecedented effects of achiral oxazolidinones on enantioselective radical-mediated conjugate additions using a chiral zinc triflate. | Organic letters 20010125 |
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