8-Acetoxy-3-methylquinoline - CAS 185961-44-8
Catalog: |
BB075529 |
Product Name: |
8-Acetoxy-3-methylquinoline |
CAS: |
185961-44-8 |
Synonyms: |
3-Methyl-8-quinolinol Acetate; 3-Methyl-8-quinolinol 8-Acetate |
IUPAC Name: | (3-methylquinolin-8-yl) acetate |
Description: | 8-Acetoxy-3-methylquinoline is an intermediate in the synthesis of metal-ion chelating amino acid into proteins as a biophysical probe. |
Molecular Weight: | 201.22 |
Molecular Formula: | C12H11NO2 |
Canonical SMILES: | CC1=CC2=C(C(=CC=C2)OC(=O)C)N=C1 |
InChI: | InChI=1S/C12H11NO2/c1-8-6-10-4-3-5-11(15-9(2)14)12(10)13-7-8/h3-7H,1-2H3 |
InChI Key: | UFEDBSXWGPWPLE-UHFFFAOYSA-N |
Solubility: | DCM, Ethyl Acetate |
Appearance: | Yellow Solid |
References: | Lee, H.S., et al. J. Am. Chem. Soc., 131, 2481 (2009); Albrecht, M., et al. Synthesis., 2, 213 (1997). |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.078978594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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