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125849-31-2 | Propanenitrile, 3-([1,1'-biphenyl]-2-yloxy)-
CAS No: 125849-31-2 Catalog No: AG000OUL MDL No:
Product Description
Catalog Number:
AG000OUL
Chemical Name:
Propanenitrile, 3-([1,1'-biphenyl]-2-yloxy)-
CAS Number:
125849-31-2
Molecular Formula:
C15H13NO
Molecular Weight:
223.2698
IUPAC Name:
3-(2-phenylphenoxy)propanenitrile
InChI:
InChI=1S/C15H13NO/c16-11-6-12-17-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-5,7-10H,6,12H2
InChI Key:
ADVKDMDEYSPMIL-UHFFFAOYSA-N
SMILES:
N#CCCOc1ccccc1c1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.275g/mol
Monoisotopic Mass:
223.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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