2-(3,4-Dimethoxyphenyl)quinoline-4-carboxylic acid - CAS 133676-16-1
Catalog: |
BB046870 |
Product Name: |
2-(3,4-Dimethoxyphenyl)quinoline-4-carboxylic acid |
CAS: |
133676-16-1 |
Synonyms: |
2-(3,4-Dimethoxy-phenyl)-quinoline-4-carboxylic acid; 2-(3,4-Dimethoxyphenyl)-4-quinolinecarboxylic acid |
IUPAC Name: | 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid |
Description: | 2-(3,4-Dimethoxyphenyl)quinoline-4-carboxylic acid (CAS# 133676-16-1 ) is a useful research chemical. |
Molecular Weight: | 309.32 |
Molecular Formula: | C18H15NO4 |
Canonical SMILES: | COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)OC |
InChI: | InChI=1S/C18H15NO4/c1-22-16-8-7-11(9-17(16)23-2)15-10-13(18(20)21)12-5-3-4-6-14(12)19-15/h3-10H,1-2H3,(H,20,21) |
InChI Key: | XJSXKUVHNQWOPH-UHFFFAOYSA-N |
Boiling Point: | 494.6±45.0 °C (Predicted) |
Melting Point: | 232-234 °C (dec.) |
Purity: | ≥ 97 % |
Density: | 1.275±0.06 g/cm3 (Predicted) |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 416 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 309.10010796 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 309.10010796 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 68.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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