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87757-24-2 | Isoxazolidine, 2-[2-(4-hydroxyphenoxy)-1-oxopropyl]-
CAS No: 87757-24-2 Catalog No: AG004IDX MDL No:
Product Description
Catalog Number:
AG004IDX
Chemical Name:
Isoxazolidine, 2-[2-(4-hydroxyphenoxy)-1-oxopropyl]-
CAS Number:
87757-24-2
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
2-(4-hydroxyphenoxy)-1-(1,2-oxazolidin-2-yl)propan-1-one
InChI:
InChI=1S/C12H15NO4/c1-9(12(15)13-7-2-8-16-13)17-11-5-3-10(14)4-6-11/h3-6,9,14H,2,7-8H2,1H3
InChI Key:
YYWRAQDSZDUDFU-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)OC(C(=O)N1CCCO1)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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