2,5,8-Trimethylquinoline-3-carboxylic acid ethyl ester - CAS 110139-48-5
Catalog: |
BB002597 |
Product Name: |
2,5,8-Trimethylquinoline-3-carboxylic acid ethyl ester |
CAS: |
110139-48-5 |
Synonyms: |
ethyl 2,5,8-trimethylquinoline-3-carboxylate |
IUPAC Name: | ethyl 2,5,8-trimethylquinoline-3-carboxylate |
Description: | 2,5,8-Trimethylquinoline-3-carboxylic acid ethyl ester (CAS# 110139-48-5) is a useful research chemical. |
Molecular Weight: | 243.30 |
Molecular Formula: | C15H17NO2 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(C=CC(=C2N=C1C)C)C |
InChI: | InChI=1S/C15H17NO2/c1-5-18-15(17)13-8-12-9(2)6-7-10(3)14(12)16-11(13)4/h6-8H,5H2,1-4H3 |
InChI Key: | LWYDEFRJMPFNGQ-UHFFFAOYSA-N |
Boiling Point: | 342.9 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.105 g/cm3 |
LogP: | 3.33670 |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.125928785 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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