1-(1-methyl-1H-1,2,3-triazol-5-yl)ethan-1-one - CAS 194209-18-2
Catalog: |
BB059463 |
Product Name: |
1-(1-methyl-1H-1,2,3-triazol-5-yl)ethan-1-one |
CAS: |
194209-18-2 |
Synonyms: |
1-(1-Methyl-1H-1,2,3-triazol-5-yl)ethanone; 1-(3-methyltriazol-4-yl)ethanone; 1-(1-methyl-1H-1,2,3-triazol-5-yl)ethan-1-one; Ethanone, 1-(1-methyl-1H-1,2,3-triazol-5-yl)- (9CI) |
IUPAC Name: | 1-(3-methyltriazol-4-yl)ethanone |
Description: | 1-(1-methyl-1H-1,2,3-triazol-5-yl)ethan-1-one (cas# 194209-18-2) is a useful research chemical. |
Molecular Weight: | 125.13 |
Molecular Formula: | C5H7N3O |
Canonical SMILES: | CC(=O)C1=CN=NN1C |
InChI: | InChI=1S/C5H7N3O/c1-4(9)5-3-6-7-8(5)2/h3H,1-2H3 |
InChI Key: | OUEAKYQSJVMRDM-UHFFFAOYSA-N |
Melting Point: | 65 - 67°C |
Solubility: | Chloroform (Sparingly), Ethyl Acetate (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | -20°C Freezer, Under inert atmosphere |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 125.058911855 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 125.058911855 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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