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18859-38-6 | 2-Propanone, 1-([1,1'-biphenyl]-4-yloxy)-
CAS No: 18859-38-6 Catalog No: AG002H17 MDL No:MFCD02969026
Product Description
Catalog Number:
AG002H17
Chemical Name:
2-Propanone, 1-([1,1'-biphenyl]-4-yloxy)-
CAS Number:
18859-38-6
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
MDL Number:
MFCD02969026
IUPAC Name:
1-(4-phenylphenoxy)propan-2-one
InChI:
InChI=1S/C15H14O2/c1-12(16)11-17-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChI Key:
TYMKZKHZVXYJPK-UHFFFAOYSA-N
SMILES:
CC(=O)COc1ccc(cc1)c1ccccc1
NSC Number:
211910
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.275g/mol
Monoisotopic Mass:
226.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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