1-(1-Methyl-1H-1,2,4-triazol-5-yl)-1-propanone - CAS 153334-14-6
Catalog: |
BB010881 |
Product Name: |
1-(1-Methyl-1H-1,2,4-triazol-5-yl)-1-propanone |
CAS: |
153334-14-6 |
Synonyms: |
1-(2-methyl-1,2,4-triazol-3-yl)propan-1-one |
IUPAC Name: | 1-(2-methyl-1,2,4-triazol-3-yl)propan-1-one |
Description: | 1-(1-Methyl-1H-1,2,4-triazol-5-yl)-1-propanone (CAS# 153334-14-6) is a useful research chemical. |
Molecular Weight: | 139.16 |
Molecular Formula: | C6H9N3O |
Canonical SMILES: | CCC(=O)C1=NC=NN1C |
InChI: | InChI=1S/C6H9N3O/c1-3-5(10)6-7-4-8-9(6)2/h4H,3H2,1-2H3 |
InChI Key: | WYIBEJSJURTLIG-UHFFFAOYSA-N |
Boiling Point: | 277 °C at 760 mmHg |
Density: | 1.19 g/cm3 |
LogP: | 0.40780 |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.074561919 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.074561919 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 47.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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