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834880-18-1 | 2-Oxazolidinone, 3-[(3S)-2-oxo-3-azetidinyl]-4-phenyl-, (4S)-
CAS No: 834880-18-1 Catalog No: AG008HL8 MDL No:
Product Description
Catalog Number:
AG008HL8
Chemical Name:
2-Oxazolidinone, 3-[(3S)-2-oxo-3-azetidinyl]-4-phenyl-, (4S)-
CAS Number:
834880-18-1
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
IUPAC Name:
(4S)-3-[(3S)-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C12H12N2O3/c15-11-9(6-13-11)14-10(7-17-12(14)16)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,15)/t9-,10+/m0/s1
InChI Key:
MGMMOQMFWBRPJF-VHSXEESVSA-N
SMILES:
O=C1OC[C@@H](N1[C@H]1CNC1=O)c1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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