Methyl 2-methylquinoline-4-carboxylate - CAS 55625-40-6
Catalog: |
BB046923 |
Product Name: |
Methyl 2-methylquinoline-4-carboxylate |
CAS: |
55625-40-6 |
Synonyms: |
Methyl 2-methyl-4-quinolinecarboxylate; 2-methyl-4-quinolinecarboxylic acid methyl ester; 4-Quinolinecarboxylic acid, 2-methyl-, methyl ester |
IUPAC Name: | methyl 2-methylquinoline-4-carboxylate |
Description: | Methyl 2-methylquinoline-4-carboxylate (CAS# 55625-40-6 ) is a useful research chemical. |
Molecular Weight: | 201.22 |
Molecular Formula: | C12H11NO2 |
Canonical SMILES: | CC1=NC2=CC=CC=C2C(=C1)C(=O)OC |
InChI: | InChI=1S/C12H11NO2/c1-8-7-10(12(14)15-2)9-5-3-4-6-11(9)13-8/h3-7H,1-2H3 |
InChI Key: | IMGVYHBEXUHRHX-UHFFFAOYSA-N |
Boiling Point: | 314.8±22.0 °C (Predicted) |
Melting Point: | 60-61 °C |
Purity: | ≥ 95 % |
Density: | 1.177±0.06 g/cm3 (Predicted) |
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: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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