1-(2-Methoxyphenyl)cyclobutanecarbonitrile - CAS 74205-10-0
Catalog: |
BB035020 |
Product Name: |
1-(2-Methoxyphenyl)cyclobutanecarbonitrile |
CAS: |
74205-10-0 |
Synonyms: |
1-(2-methoxyphenyl)-1-cyclobutanecarbonitrile; 1-(2-methoxyphenyl)cyclobutane-1-carbonitrile |
IUPAC Name: | 1-(2-methoxyphenyl)cyclobutane-1-carbonitrile |
Description: | 1-(2-Methoxyphenyl)cyclobutanecarbonitrile (CAS# 74205-10-0) is a useful research chemical. |
Molecular Weight: | 187.24 |
Molecular Formula: | C12H13NO |
Canonical SMILES: | COC1=CC=CC=C1C2(CCC2)C#N |
InChI: | InChI=1S/C12H13NO/c1-14-11-6-3-2-5-10(11)12(9-13)7-4-8-12/h2-3,5-6H,4,7-8H2,1H3 |
InChI Key: | NGAKDLJHLFTSEU-UHFFFAOYSA-N |
LogP: | 2.64048 |
Publication Number | Title | Priority Date |
AU-2008269516-A1 | Pyrazinone derivatives and their use in the treatment of lung diseases | 20070627 |
AU-2008269516-B2 | Pyrazinone derivatives and their use in the treatment of lung diseases | 20070627 |
CA-2691215-A1 | Pyrazinone derivatives and their use in the treatment of lung diseases | 20070627 |
CA-2691215-C | Pyrazinone derivatives and their use in the treatment of lung diseases | 20070627 |
EP-2170848-A1 | Pyrazinone derivatives and their use in the treatment of lung diseases | 20070627 |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.099714038 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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