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142055-46-7 | 3-Oxazolidinecarboxylic acid, 5-oxo-4-(2-oxoethyl)-, methyl ester, (4S)-
CAS No: 142055-46-7 Catalog No: AG001HO3 MDL No:
Product Description
Catalog Number:
AG001HO3
Chemical Name:
3-Oxazolidinecarboxylic acid, 5-oxo-4-(2-oxoethyl)-, methyl ester, (4S)-
CAS Number:
142055-46-7
Molecular Formula:
C7H9NO5
Molecular Weight:
187.1501
IUPAC Name:
methyl (4S)-5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate
InChI:
InChI=1S/C7H9NO5/c1-12-7(11)8-4-13-6(10)5(8)2-3-9/h3,5H,2,4H2,1H3/t5-/m0/s1
InChI Key:
XYSPGJRNJJXWTF-YFKPBYRVSA-N
SMILES:
O=CC[C@H]1C(=O)OCN1C(=O)OC
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
187.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.151g/mol
Monoisotopic Mass:
187.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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