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23598-50-7

23598-50-7 | 2-Oxazolidinone, 3-(4-methylphenyl)-5-[(2-propyn-1-yloxy)methyl]-

CAS No: 23598-50-7 Catalog No: AG002NUM MDL No:

Product Description

Catalog Number:
AG002NUM
Chemical Name:
2-Oxazolidinone, 3-(4-methylphenyl)-5-[(2-propyn-1-yloxy)methyl]-
CAS Number:
23598-50-7
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
3-(4-methylphenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C14H15NO3/c1-3-8-17-10-13-9-15(14(16)18-13)12-6-4-11(2)5-7-12/h1,4-7,13H,8-10H2,2H3
InChI Key:
QQJPZBXPHGVDQZ-UHFFFAOYSA-N
SMILES:
C#CCOCC1CN(C(=O)O1)c1ccc(cc1)C

Properties

Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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