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23598-59-6 | 2-Oxazolidinone, 3-(4-hydroxyphenyl)-5-[(2-propyn-1-yloxy)methyl]-
CAS No: 23598-59-6 Catalog No: AG002NUF MDL No:
Product Description
Catalog Number:
AG002NUF
Chemical Name:
2-Oxazolidinone, 3-(4-hydroxyphenyl)-5-[(2-propyn-1-yloxy)methyl]-
CAS Number:
23598-59-6
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
IUPAC Name:
3-(4-hydroxyphenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C13H13NO4/c1-2-7-17-9-12-8-14(13(16)18-12)10-3-5-11(15)6-4-10/h1,3-6,12,15H,7-9H2
InChI Key:
IQQBACKUBFUZMK-UHFFFAOYSA-N
SMILES:
C#CCOCC1CN(C(=O)O1)c1ccc(cc1)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.25g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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