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800367-32-2 | 2-Oxazolidinone, 3-[(2E)-1-oxo-2-hexenyl]-4,5,5-triphenyl-, (4R)-
CAS No: 800367-32-2 Catalog No: AG005DLJ MDL No:
Product Description
Catalog Number:
AG005DLJ
Chemical Name:
2-Oxazolidinone, 3-[(2E)-1-oxo-2-hexenyl]-4,5,5-triphenyl-, (4R)-
CAS Number:
800367-32-2
Molecular Formula:
C27H25NO3
Molecular Weight:
411.4923
IUPAC Name:
(4R)-3-hex-2-enoyl-4,5,5-triphenyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C27H25NO3/c1-2-3-7-20-24(29)28-25(21-14-8-4-9-15-21)27(31-26(28)30,22-16-10-5-11-17-22)23-18-12-6-13-19-23/h4-20,25H,2-3H2,1H3/t25-/m1/s1
InChI Key:
JUQSCIGUEFTWAH-RUZDIDTESA-N
SMILES:
CCC/C=C/C(=O)N1C(=O)OC([C@H]1c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
621
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
411.183g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.501g/mol
Monoisotopic Mass:
411.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6
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