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112900-56-8 | 2-Oxazolidinone, 3-butyl-4-(phenoxymethyl)-
CAS No: 112900-56-8 Catalog No: AG007RON MDL No:
Product Description
Catalog Number:
AG007RON
Chemical Name:
2-Oxazolidinone, 3-butyl-4-(phenoxymethyl)-
CAS Number:
112900-56-8
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
IUPAC Name:
3-butyl-4-(phenoxymethyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C14H19NO3/c1-2-3-9-15-12(11-18-14(15)16)10-17-13-7-5-4-6-8-13/h4-8,12H,2-3,9-11H2,1H3
InChI Key:
WXQHTUOWHHEMSZ-UHFFFAOYSA-N
SMILES:
CCCCN1C(COc2ccccc2)COC1=O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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