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229309-18-6 | Benzonitrile, 3-[(4-formylphenoxy)methyl]-
CAS No: 229309-18-6 Catalog No: AG002LJY MDL No:
Product Description
Catalog Number:
AG002LJY
Chemical Name:
Benzonitrile, 3-[(4-formylphenoxy)methyl]-
CAS Number:
229309-18-6
Molecular Formula:
C15H11NO2
Molecular Weight:
237.2533
IUPAC Name:
3-[(4-formylphenoxy)methyl]benzonitrile
InChI:
InChI=1S/C15H11NO2/c16-9-13-2-1-3-14(8-13)11-18-15-6-4-12(10-17)5-7-15/h1-8,10H,11H2
InChI Key:
IXIGOQRTYPMSPJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCc1cccc(c1)C#N
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.258g/mol
Monoisotopic Mass:
237.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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