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678969-59-0

678969-59-0 | Oxazolidine, 3,4-dimethyl-5-phenyl-2-(4-propoxyphenyl)-, (2S,4S,5R)-

CAS No: 678969-59-0 Catalog No: AG0062JQ MDL No:

Product Description

Catalog Number:
AG0062JQ
Chemical Name:
Oxazolidine, 3,4-dimethyl-5-phenyl-2-(4-propoxyphenyl)-, (2S,4S,5R)-
CAS Number:
678969-59-0
Molecular Formula:
C20H25NO2
Molecular Weight:
311.4180
IUPAC Name:
(2S,4S,5R)-3,4-dimethyl-5-phenyl-2-(4-propoxyphenyl)-1,3-oxazolidine
InChI:
InChI=1S/C20H25NO2/c1-4-14-22-18-12-10-17(11-13-18)20-21(3)15(2)19(23-20)16-8-6-5-7-9-16/h5-13,15,19-20H,4,14H2,1-3H3/t15-,19-,20-/m0/s1
InChI Key:
UCCZGHAQEYIPDX-YSSFQJQWSA-N
SMILES:
CCCOc1ccc(cc1)[C@@H]1O[C@@H]([C@@H](N1C)C)c1ccccc1

Properties

Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
311.189g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.425g/mol
Monoisotopic Mass:
311.189g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

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