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23598-92-7 | 2-Oxazolidinone, 3-(4-methoxyphenyl)-5-[(2-propyn-1-yloxy)methyl]-
CAS No: 23598-92-7 Catalog No: AG002NU6 MDL No:
Product Description
Catalog Number:
AG002NU6
Chemical Name:
2-Oxazolidinone, 3-(4-methoxyphenyl)-5-[(2-propyn-1-yloxy)methyl]-
CAS Number:
23598-92-7
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
IUPAC Name:
3-(4-methoxyphenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C14H15NO4/c1-3-8-18-10-13-9-15(14(16)19-13)11-4-6-12(17-2)7-5-11/h1,4-7,13H,8-10H2,2H3
InChI Key:
FGJSQIWLTMCNPH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1CC(OC1=O)COCC#C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.277g/mol
Monoisotopic Mass:
261.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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