(Z)-1-(1-Naphthalenyl)ethanone Oxime - CAS 100485-59-4
Catalog: |
BB075783 |
Product Name: |
(Z)-1-(1-Naphthalenyl)ethanone Oxime |
CAS: |
100485-59-4 |
Synonyms: |
(Z)-1-Acetonaphthone Oxime; (1Z)-1-(1-Naphthalenyl)ethanone Oxime |
IUPAC Name: | (NZ)-N-(1-naphthalen-1-ylethylidene)hydroxylamine |
Description: | (Z)-1-(1-Naphthalenyl)ethanone Oxime is derived from 1-Acetylnaphthalene (A186940), which is used in the preparation of S(-)-1-(1'-naphthyl) ethanol, an important synthetic intermediate of mevinic acid analog. |
Molecular Weight: | 185.22 |
Molecular Formula: | C12H11NO |
Canonical SMILES: | CC(=NO)C1=CC=CC2=CC=CC=C21 |
InChI: | InChI=1S/C12H11NO/c1-9(13-14)11-8-4-6-10-5-2-3-7-12(10)11/h2-8,14H,1H3/b13-9- |
InChI Key: | KHNGQTJKEPANSZ-LCYFTJDESA-N |
References: | Kamble, A.L. et al. J. Mol. Catal. B Enzym., 35, 1 (2005); Bhattacharyya, M. et al. Biores. Technol., 98, 1958 (2007). |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 185.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.084063974 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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