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20967-96-8 | Benzeneacetonitrile, 3-(phenylmethoxy)-
CAS No: 20967-96-8 Catalog No: AG002KCY MDL No:MFCD00016396
Product Description
Catalog Number:
AG002KCY
Chemical Name:
Benzeneacetonitrile, 3-(phenylmethoxy)-
CAS Number:
20967-96-8
Molecular Formula:
C15H13NO
Molecular Weight:
223.2698
MDL Number:
MFCD00016396
IUPAC Name:
2-(3-phenylmethoxyphenyl)acetonitrile
InChI:
InChI=1S/C15H13NO/c16-10-9-13-7-4-8-15(11-13)17-12-14-5-2-1-3-6-14/h1-8,11H,9,12H2
InChI Key:
CKZFVIPFANUBDW-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1)OCc1ccccc1
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:
3
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