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114992-47-1 | Acetamide, N-[[(5S)-3-(4-formylphenyl)-2-oxo-5-oxazolidinyl]methyl]-
CAS No: 114992-47-1 Catalog No: AG000FJ6 MDL No:
Product Description
Catalog Number:
AG000FJ6
Chemical Name:
Acetamide, N-[[(5S)-3-(4-formylphenyl)-2-oxo-5-oxazolidinyl]methyl]-
CAS Number:
114992-47-1
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
IUPAC Name:
N-[[(5S)-3-(4-formylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
InChI:
InChI=1S/C13H14N2O4/c1-9(17)14-6-12-7-15(13(18)19-12)11-4-2-10(8-16)3-5-11/h2-5,8,12H,6-7H2,1H3,(H,14,17)/t12-/m0/s1
InChI Key:
STFNPLFKVUFYOJ-LBPRGKRZSA-N
SMILES:
O=Cc1ccc(cc1)N1C[C@@H](OC1=O)CNC(=O)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
262.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.265g/mol
Monoisotopic Mass:
262.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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