Methyl-2-(1H-1,2,4-triazole-1-yl) acetate - CAS 106535-16-4
Catalog: |
BB053472 |
Product Name: |
Methyl-2-(1H-1,2,4-triazole-1-yl) acetate |
CAS: |
106535-16-4 |
Synonyms: |
methyl 2-(1,2,4-triazolyl)acetate; methyl 1H-1,2,4-triazol-1-ylacetate; 1H-1,2,4-Triazole-1-aceticacid, methyl ester |
IUPAC Name: | methyl 2-(1,2,4-triazol-1-yl)acetate |
Molecular Weight: | 141.13 |
Molecular Formula: | C5H7N3O2 |
Canonical SMILES: | COC(=O)CN1C=NC=N1 |
InChI: | InChI=1S/C5H7N3O2/c1-10-5(9)2-8-4-6-3-7-8/h3-4H,2H2,1H3 |
InChI Key: | KRKABMNEWUTJQT-UHFFFAOYSA-N |
Boiling Point: | 266.1°C at 760mmHg |
Purity: | 95% |
Density: | 1.31 g/cm3 |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.053826475 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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