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3309-57-7 | 2,5-Oxazolidinedione, 4-[(phenylmethoxy)methyl]-, (S)-
CAS No: 3309-57-7 Catalog No: AG007HFC MDL No:
Product Description
Catalog Number:
AG007HFC
Chemical Name:
2,5-Oxazolidinedione, 4-[(phenylmethoxy)methyl]-, (S)-
CAS Number:
3309-57-7
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
IUPAC Name:
(4S)-4-(phenylmethoxymethyl)-1,3-oxazolidine-2,5-dione
InChI:
InChI=1S/C11H11NO4/c13-10-9(12-11(14)16-10)7-15-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)/t9-/m0/s1
InChI Key:
QZLBNGOHDLVJAW-VIFPVBQESA-N
SMILES:
O=C1OC(=O)[C@@H](N1)COCc1ccccc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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