3-Ethoxypyrazine-2-carboxylic acid - CAS 1339121-92-4
Catalog: |
BB065976 |
Product Name: |
3-Ethoxypyrazine-2-carboxylic acid |
CAS: |
1339121-92-4 |
Synonyms: |
3-ethoxypyrazine-2-carboxylic acid; 3-ethoxypyrazine-2-carboxylicacid |
IUPAC Name: | 3-ethoxypyrazine-2-carboxylic acid |
Description: | 3-Ethoxypyrazine-2-carboxylic acid |
Molecular Weight: | 168.15 |
Molecular Formula: | C7H8N2O3 |
Canonical SMILES: | CCOC1=NC=CN=C1C(=O)O |
InChI: | InChI=1S/C7H8N2O3/c1-2-12-6-5(7(10)11)8-3-4-9-6/h3-4H,2H2,1H3,(H,10,11) |
InChI Key: | NKLLDNPMUSPAHX-UHFFFAOYSA-N |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.05349212 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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