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189255-05-8 | 5-Isoxazolidinol, 3-(2-furanyl)-2-phenyl-
CAS No: 189255-05-8 Catalog No: AG002I4T MDL No:
Product Description
Catalog Number:
AG002I4T
Chemical Name:
5-Isoxazolidinol, 3-(2-furanyl)-2-phenyl-
CAS Number:
189255-05-8
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
3-(furan-2-yl)-2-phenyl-1,2-oxazolidin-5-ol
InChI:
InChI=1S/C13H13NO3/c15-13-9-11(12-7-4-8-16-12)14(17-13)10-5-2-1-3-6-10/h1-8,11,13,15H,9H2
InChI Key:
KMEPCTWIFAEPJI-UHFFFAOYSA-N
SMILES:
OC1ON(C(C1)c1ccco1)c1ccccc1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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