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23598-69-8 | 2-Oxazolidinone, 3-(4-acetylphenyl)-5-[(2-propyn-1-yloxy)methyl]-
CAS No: 23598-69-8 Catalog No: AG002NUA MDL No:
Product Description
Catalog Number:
AG002NUA
Chemical Name:
2-Oxazolidinone, 3-(4-acetylphenyl)-5-[(2-propyn-1-yloxy)methyl]-
CAS Number:
23598-69-8
Molecular Formula:
C15H15NO4
Molecular Weight:
273.2839
IUPAC Name:
3-(4-acetylphenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C15H15NO4/c1-3-8-19-10-14-9-16(15(18)20-14)13-6-4-12(5-7-13)11(2)17/h1,4-7,14H,8-10H2,2H3
InChI Key:
DZHVZKBRRQRCBJ-UHFFFAOYSA-N
SMILES:
C#CCOCC1CN(C(=O)O1)c1ccc(cc1)C(=O)C
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.288g/mol
Monoisotopic Mass:
273.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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