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23598-58-5 | 2-Oxazolidinone, 3-(diphenylmethyl)-5-[(2-propyn-1-yloxy)methyl]-
CAS No: 23598-58-5 Catalog No: AG002NUG MDL No:
Product Description
Catalog Number:
AG002NUG
Chemical Name:
2-Oxazolidinone, 3-(diphenylmethyl)-5-[(2-propyn-1-yloxy)methyl]-
CAS Number:
23598-58-5
Molecular Formula:
C20H19NO3
Molecular Weight:
321.3698
IUPAC Name:
3-benzhydryl-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C20H19NO3/c1-2-13-23-15-18-14-21(20(22)24-18)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h1,3-12,18-19H,13-15H2
InChI Key:
CFZHWUKHPOMYNW-UHFFFAOYSA-N
SMILES:
C#CCOCC1CN(C(=O)O1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.136g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.376g/mol
Monoisotopic Mass:
321.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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