5-Methoxy-2-phenylbenzonitrile - CAS 934691-48-2
Catalog: |
BB060074 |
Product Name: |
5-Methoxy-2-phenylbenzonitrile |
CAS: |
934691-48-2 |
Synonyms: |
4-Methoxy[1,1'-biphenyl]-2-carboxaldehyde; 4-Methoxybiphenyl-2-carboxaldehyde |
IUPAC Name: | 5-methoxy-2-phenylbenzonitrile |
Description: | 5-Methoxy-2-phenylbenzonitrile |
Molecular Weight: | 209.24 |
Molecular Formula: | C14H11NO |
Canonical SMILES: | COC1=CC(=C(C=C1)C2=CC=CC=C2)C#N |
InChI: | InChI=1S/C14H11NO/c1-16-13-7-8-14(12(9-13)10-15)11-5-3-2-4-6-11/h2-9H,1H3 |
InChI Key: | XCABJPHZVKTLOY-UHFFFAOYSA-N |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.084063974 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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