1-(2,5-dimethoxy-4-methylphenyl)-2-propanone Oxime - CAS 43021-99-4
Catalog: |
BB067368 |
Product Name: |
1-(2,5-dimethoxy-4-methylphenyl)-2-propanone Oxime |
CAS: |
43021-99-4 |
Synonyms: |
(E)-1-(2,5-dimethoxy-4-methylphenyl)propan-2-one Oxime |
IUPAC Name: | N-[1-(2,5-dimethoxy-4-methylphenyl)propan-2-ylidene]hydroxylamine |
Description: | 1-(2,5-dimethoxy-4-methylphenyl)-2-propanone Oxime is a reagent used in research. |
Molecular Weight: | 223.27 |
Molecular Formula: | C12H12NO3 |
Canonical SMILES: | CC1=CC(=C(C=C1OC)CC(=NO)C)OC |
InChI: | InChI=1S/C12H17NO3/c1-8-5-12(16-4)10(6-9(2)13-14)7-11(8)15-3/h5,7,14H,6H2,1-4H3 |
InChI Key: | HVCJKHJIAUAVFJ-UHFFFAOYSA-N |
References: | Gal, J., et al. J. Med. Chem., 18, 683 (1975);Weinkam, R., et al. Anal. Chem., 48, 203(1976);Coutts, R.T., et al. Org. Mass Spec., 7, 985 (1973). |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.1208434 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.1208434 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 51Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 2.1 |
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