6-Methoxy-thieno[2,3-b]quinoline-2-carboxylic acid - CAS 462067-71-6
Catalog: |
BB060018 |
Product Name: |
6-Methoxy-thieno[2,3-b]quinoline-2-carboxylic acid |
CAS: |
462067-71-6 |
Synonyms: |
6-Methoxy-thieno[2,3-b]quinoline-2-carboxylic acid; 6-methoxythieno[2,3-b]quinoline-2-carboxylic acid |
IUPAC Name: | 6-methoxythieno[2,3-b]quinoline-2-carboxylic acid |
Description: | 6-Methoxy-thieno[2,3-b]quinoline-2-carboxylic acid |
Molecular Weight: | 259.28 |
Molecular Formula: | C13H9NO3S |
Canonical SMILES: | COC1=CC2=CC3=C(N=C2C=C1)SC(=C3)C(=O)O |
InChI: | InChI=1S/C13H9NO3S/c1-17-9-2-3-10-7(5-9)4-8-6-11(13(15)16)18-12(8)14-10/h2-6H,1H3,(H,15,16) |
InChI Key: | UJVNOSXZCMYLSO-UHFFFAOYSA-N |
Complexity: | 338 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.03031432 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.03031432 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 87.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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