6-Methoxy-2-methylquinoline-3-carboxylic acid - CAS 88752-76-5
Catalog: |
BB039176 |
Product Name: |
6-Methoxy-2-methylquinoline-3-carboxylic acid |
CAS: |
88752-76-5 |
Synonyms: |
6-methoxy-2-methylquinoline-3-carboxylic acid |
IUPAC Name: | 6-methoxy-2-methylquinoline-3-carboxylic acid |
Description: | 6-Methoxy-2-methylquinoline-3-carboxylic acid (CAS# 88752-76-5) is a useful research chemical. |
Molecular Weight: | 217.22 |
Molecular Formula: | C12H11NO3 |
Canonical SMILES: | CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)O |
InChI: | InChI=1S/C12H11NO3/c1-7-10(12(14)15)6-8-5-9(16-2)3-4-11(8)13-7/h3-6H,1-2H3,(H,14,15) |
InChI Key: | HQTMGNSGKYFHAM-UHFFFAOYSA-N |
Boiling Point: | 379.8 °C at 760 mmHg |
MDL: | MFCD00841563 |
LogP: | 2.25000 |
Publication Number | Title | Priority Date |
US-2012232052-A1 | Aryl carboxamide derivatives as ttx-s blockers | 20091116 |
US-9051296-B2 | Aryl carboxamide derivatives as TTX-S blockers | 20091116 |
Complexity: | 269 |
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: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.07389321 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 59.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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