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192203-93-3 | 2-Oxazolidinone, 3-(1-oxo-2-propyn-1-yl)-4-phenyl-, (4S)-
CAS No: 192203-93-3 Catalog No: AG002FQB MDL No:
Product Description
Catalog Number:
AG002FQB
Chemical Name:
2-Oxazolidinone, 3-(1-oxo-2-propyn-1-yl)-4-phenyl-, (4S)-
CAS Number:
192203-93-3
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
IUPAC Name:
(4S)-4-phenyl-3-prop-2-ynoyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C12H9NO3/c1-2-11(14)13-10(8-16-12(13)15)9-6-4-3-5-7-9/h1,3-7,10H,8H2/t10-/m1/s1
InChI Key:
CFOHJWUQDLXCBF-SNVBAGLBSA-N
SMILES:
C#CC(=O)N1C(=O)OC[C@@H]1c1ccccc1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
215.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.208g/mol
Monoisotopic Mass:
215.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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