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22831-96-5 | 2,5-Oxazolidinedione, 4-[[4-(phenylmethoxy)phenyl]methyl]-, (S)-
CAS No: 22831-96-5 Catalog No: AG007PFF MDL No:
Product Description
Catalog Number:
AG007PFF
Chemical Name:
2,5-Oxazolidinedione, 4-[[4-(phenylmethoxy)phenyl]methyl]-, (S)-
CAS Number:
22831-96-5
Molecular Formula:
C17H15NO4
Molecular Weight:
297.3053
IUPAC Name:
(4S)-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,5-dione
InChI:
InChI=1S/C17H15NO4/c19-16-15(18-17(20)22-16)10-12-6-8-14(9-7-12)21-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,18,20)/t15-/m0/s1
InChI Key:
PXBOIYCSALTRHO-HNNXBMFYSA-N
SMILES:
O=C1OC(=O)[C@@H](N1)Cc1ccc(cc1)OCc1ccccc1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
297.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.31g/mol
Monoisotopic Mass:
297.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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