Methyl [(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)oxy]acetate - CAS 1855889-10-9
Catalog: |
BB051500 |
Product Name: |
Methyl [(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)oxy]acetate |
CAS: |
1855889-10-9 |
Synonyms: |
Acetic acid, 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)oxy]-, methyl ester |
IUPAC Name: | methyl 2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)oxyacetate |
Molecular Weight: | 235.24 |
Molecular Formula: | C11H13N3O3 |
Canonical SMILES: | CC1=CC(=NC2=CC(=NN12)OCC(=O)OC)C |
InChI: | InChI=1S/C11H13N3O3/c1-7-4-8(2)14-9(12-7)5-10(13-14)17-6-11(15)16-3/h4-5H,6H2,1-3H3 |
InChI Key: | ZKGSZZCBALUSKC-UHFFFAOYSA-N |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.09569129 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.09569129 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 65.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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