Ethyl 2-Oxo-1,2-dihydroquinoline-3-carboxylate - CAS 85870-47-9
Catalog: |
BB037753 |
Product Name: |
Ethyl 2-Oxo-1,2-dihydroquinoline-3-carboxylate |
CAS: |
85870-47-9 |
Synonyms: |
2-oxo-1H-quinoline-3-carboxylic acid ethyl ester; ethyl 2-oxo-1H-quinoline-3-carboxylate |
IUPAC Name: | ethyl 2-oxo-1H-quinoline-3-carboxylate |
Description: | Ethyl 2-Oxo-1,2-dihydroquinoline-3-carboxylate (CAS# 85870-47-9) is a useful research chemical. |
Molecular Weight: | 217.22 |
Molecular Formula: | C12H11NO3 |
Canonical SMILES: | CCOC(=O)C1=CC2=CC=CC=C2NC1=O |
InChI: | InChI=1S/C12H11NO3/c1-2-16-12(15)9-7-8-5-3-4-6-10(8)13-11(9)14/h3-7H,2H2,1H3,(H,13,14) |
InChI Key: | POZIHPKRJFLANV-UHFFFAOYSA-N |
LogP: | 2.11710 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021197276-A1 | Amide compounds and uses thereof | 20200330 |
AU-2019260015-A1 | Process for the hydrolysis of quinolone carboxylic esters | 20180425 |
CA-3098060-A1 | Process for the hydrolysis of quinolone carboxylic esters | 20180425 |
IL-278175-D0 | Process for hydrolysis of esters quinolone carboxyls | 20180425 |
BR-112020021635-A2 | process for the hydrolysis of quinolone carboxylic esters | 20180425 |
Complexity: | 335 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.07389321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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