5-(1-Methyl-2-pyrrolyl)isoxazole-3-carboxylic Acid - CAS 1326814-81-6
Catalog: |
BB007613 |
Product Name: |
5-(1-Methyl-2-pyrrolyl)isoxazole-3-carboxylic Acid |
CAS: |
1326814-81-6 |
Synonyms: |
5-(1-methyl-2-pyrrolyl)-3-isoxazolecarboxylic acid; 5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxylic acid |
IUPAC Name: | 5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxylic acid |
Description: | 5-(1-Methyl-2-pyrrolyl)isoxazole-3-carboxylic Acid (CAS# 1326814-81-6) is a useful research chemical. |
Molecular Weight: | 192.17 |
Molecular Formula: | C9H8N2O3 |
Canonical SMILES: | CN1C=CC=C1C2=CC(=NO2)C(=O)O |
InChI: | InChI=1S/C9H8N2O3/c1-11-4-2-3-7(11)8-5-6(9(12)13)10-14-8/h2-5H,1H3,(H,12,13) |
InChI Key: | BRRLYKWPVBTLOR-UHFFFAOYSA-N |
LogP: | 1.37830 |
Publication Number | Title | Priority Date |
EP-1971600-A1 | Isoxazole derivatives and use thereof | 20051230 |
EP-1971600-B1 | Isoxazole derivatives and use thereof | 20051230 |
ES-2436103-T3 | Isoxazole derivatives and use thereof | 20051230 |
KR-101394245-B1 | Isoxazole derivatives and uses thereof | 20051230 |
US-2009131336-A1 | Isoxazole Derivatives and Use Thereof | 20051230 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.05349212 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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