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23598-54-1

23598-54-1 | 2-Oxazolidinone, 3-phenyl-5-[(2-propyn-1-yloxy)methyl]-

CAS No: 23598-54-1 Catalog No: AG002NUJ MDL No:

Product Description

Catalog Number:
AG002NUJ
Chemical Name:
2-Oxazolidinone, 3-phenyl-5-[(2-propyn-1-yloxy)methyl]-
CAS Number:
23598-54-1
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
3-phenyl-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C13H13NO3/c1-2-8-16-10-12-9-14(13(15)17-12)11-6-4-3-5-7-11/h1,3-7,12H,8-10H2
InChI Key:
RXVDTRQMYILFDO-UHFFFAOYSA-N
SMILES:
C#CCOCC1CN(C(=O)O1)c1ccccc1
NSC Number:
154295

Properties

Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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