1-Ethyl-1H-1,2,4-triazole-3-carboxylic Acid Methyl Ester - CAS 1034197-43-7
Catalog: |
BB057342 |
Product Name: |
1-Ethyl-1H-1,2,4-triazole-3-carboxylic Acid Methyl Ester |
CAS: |
1034197-43-7 |
Synonyms: |
methyl 1-ethyl-1,2,4-triazole-3-carboxylate; methyl 1-ethyl-1H-1,2,4-triazole-3-carboxylate; 1-Ethyl-1H-1,2,4-triazole-3-carboxylic Acid Methyl Ester |
IUPAC Name: | methyl 1-ethyl-1,2,4-triazole-3-carboxylate |
Description: | 1H-1,2,4-Triazole-3-carboxylic acid, 1-ethyl-, methyl ester (cas# 1034197-43-7) is a useful research chemical. |
Molecular Weight: | 155.15 |
Molecular Formula: | C6H9N3O2 |
Canonical SMILES: | CCN1C=NC(=N1)C(=O)OC |
InChI: | InChI=1S/C6H9N3O2/c1-3-9-4-7-5(8-9)6(10)11-2/h4H,3H2,1-2H3 |
InChI Key: | RIFPCPJNWVIYQL-UHFFFAOYSA-N |
Melting Point: | 62 - 63°C |
Solubility: | DMSO (Sparingly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | -20°C Freezer, Under inert atmosphere |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.069476538 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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