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259754-58-0 | 4-Oxazolidinecarboxylic acid, 5-(4-methoxyphenyl)-2-oxo-, (4R,5S)-rel-
CAS No: 259754-58-0 Catalog No: AG002R8V MDL No:
Product Description
Catalog Number:
AG002R8V
Chemical Name:
4-Oxazolidinecarboxylic acid, 5-(4-methoxyphenyl)-2-oxo-, (4R,5S)-rel-
CAS Number:
259754-58-0
Molecular Formula:
C11H11NO5
Molecular Weight:
237.2087
IUPAC Name:
5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
InChI:
InChI=1S/C11H11NO5/c1-16-7-4-2-6(3-5-7)9-8(10(13)14)12-11(15)17-9/h2-5,8-9H,1H3,(H,12,15)(H,13,14)
InChI Key:
WDFHFEUJLSUCRL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)[C@@H]1OC(=O)N[C@H]1C(=O)O
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.211g/mol
Monoisotopic Mass:
237.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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