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13590-42-6 | 4-Oxazolidineacetic acid, 2,5-dioxo-, phenylmethyl ester, (S)-
CAS No: 13590-42-6 Catalog No: AG003LY1 MDL No:MFCD16037555
Product Description
Catalog Number:
AG003LY1
Chemical Name:
4-Oxazolidineacetic acid, 2,5-dioxo-, phenylmethyl ester, (S)-
CAS Number:
13590-42-6
Molecular Formula:
C12H11NO5
Molecular Weight:
249.2194
MDL Number:
MFCD16037555
IUPAC Name:
benzyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate
InChI:
InChI=1S/C12H11NO5/c14-10(6-9-11(15)18-12(16)13-9)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)/t9-/m0/s1
InChI Key:
QNIPTEJAZIWFHH-VIFPVBQESA-N
SMILES:
O=C(C[C@@H]1NC(=O)OC1=O)OCc1ccccc1
EC Number:
237-026-9
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
249.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.222g/mol
Monoisotopic Mass:
249.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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