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131675-62-2 | 4-Oxazolidinecarboxylic acid, 3-ethyl-2-oxo-, methyl ester, (4S)-
CAS No: 131675-62-2 Catalog No: AG000ZKV MDL No:
Product Description
Catalog Number:
AG000ZKV
Chemical Name:
4-Oxazolidinecarboxylic acid, 3-ethyl-2-oxo-, methyl ester, (4S)-
CAS Number:
131675-62-2
Molecular Formula:
C7H11NO4
Molecular Weight:
173.1665
IUPAC Name:
methyl (4S)-3-ethyl-2-oxo-1,3-oxazolidine-4-carboxylate
InChI:
InChI=1S/C7H11NO4/c1-3-8-5(6(9)11-2)4-12-7(8)10/h5H,3-4H2,1-2H3/t5-/m0/s1
InChI Key:
GQHWIWKSSAUHHA-YFKPBYRVSA-N
SMILES:
CCN1C(=O)OC[C@H]1C(=O)OC
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
173.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.168g/mol
Monoisotopic Mass:
173.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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