2-(2-Methoxyethoxy)-benzonitrile - CAS 540753-14-8
Catalog: |
BB059738 |
Product Name: |
2-(2-Methoxyethoxy)-benzonitrile |
CAS: |
540753-14-8 |
Synonyms: |
2-(2-Methoxyethoxy)benzonitrile; 2-(2-METHOXYETHOXY)-BENZONITRILE |
IUPAC Name: | 2-(2-methoxyethoxy)benzonitrile |
Description: | 2-(2-Methoxyethoxy)-benzonitrile |
Molecular Weight: | 177.2 |
Molecular Formula: | C10H11NO2 |
Canonical SMILES: | COCCOC1=CC=CC=C1C#N |
InChI: | InChI=1S/C10H11NO2/c1-12-6-7-13-10-5-3-2-4-9(10)8-11/h2-5H,6-7H2,1H3 |
InChI Key: | VBDRUXUBOLEWEO-UHFFFAOYSA-N |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.078978594 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 42.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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