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104392-75-8 | Acetamide, N-[[(5S)-3-(4-ethynylphenyl)-2-oxo-5-oxazolidinyl]methyl]-
CAS No: 104392-75-8 Catalog No: AG008612 MDL No:
Product Description
Catalog Number:
AG008612
Chemical Name:
Acetamide, N-[[(5S)-3-(4-ethynylphenyl)-2-oxo-5-oxazolidinyl]methyl]-
CAS Number:
104392-75-8
Molecular Formula:
C14H14N2O3
Molecular Weight:
258.2726
IUPAC Name:
N-[[3-(4-ethynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
InChI:
InChI=1S/C14H14N2O3/c1-3-11-4-6-12(7-5-11)16-9-13(19-14(16)18)8-15-10(2)17/h1,4-7,13H,8-9H2,2H3,(H,15,17)
InChI Key:
URAMNIUDXBAFQH-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)N1C[C@@H](OC1=O)CNC(=O)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.277g/mol
Monoisotopic Mass:
258.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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