2,3-dimethylpyrazolo[3,2-b][1,3]oxazole-6-carboxylic acid - CAS 1365940-87-9
Catalog: |
BB008380 |
Product Name: |
2,3-dimethylpyrazolo[3,2-b][1,3]oxazole-6-carboxylic acid |
CAS: |
1365940-87-9 |
Synonyms: |
2,3-dimethyl-6-pyrazolo[5,1-b]oxazolecarboxylic acid; 2,3-dimethylpyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid |
IUPAC Name: | 2,3-dimethylpyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid |
Description: | 2,3-dimethylpyrazolo[3,2-b][1,3]oxazole-6-carboxylic acid (CAS# 1365940-87-9 ) is a useful research chemical. |
Molecular Weight: | 180.163 |
Molecular Formula: | C8H8N2O3 |
Canonical SMILES: | CC1=C(OC2=CC(=NN12)C(=O)O)C |
InChI: | InChI=1S/C8H8N2O3/c1-4-5(2)13-7-3-6(8(11)12)9-10(4)7/h3H,1-2H3,(H,11,12) |
InChI Key: | LSCNTFRKDHHUKK-UHFFFAOYSA-N |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.05349212 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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