4,7-Dimethylquinolin-2(1H)-one - CAS 2585-18-4
Catalog: |
BB066894 |
Product Name: |
4,7-Dimethylquinolin-2(1H)-one |
CAS: |
2585-18-4 |
Synonyms: |
4,7-Dimethyl-2-quinolone; 4,7-Dimethylquinolin-2(1H)-one; NSC 108252; NSC 166289 |
IUPAC Name: | 4,7-dimethyl-1H-quinolin-2-one |
Description: | 4,7-Dimethylquinolin-2(1H)-one is a reagent in the preparartion of citralidene hydrazido quinolinones which has antibacterial activity. |
Molecular Weight: | 173.08 |
Molecular Formula: | C11H11NO |
Canonical SMILES: | CC1=CC2=C(C=C1)C(=CC(=O)N2)C |
InChI: | InChI=1S/C11H11NO/c1-7-3-4-9-8(2)6-11(13)12-10(9)5-7/h3-6H,1-2H3,(H,12,13) |
InChI Key: | WFVZLFFKZBDDCM-UHFFFAOYSA-N |
References: | Piste, P. B., et al. J. Chem. Biol. Phy. Sci., 3, 1746 (2013). |
GHS Hazard Statement: | H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.084063974 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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