Methyl 2-(1-Methyl-1H-pyrazol-4-yl)acetate - CAS 1248548-23-3
Catalog: |
BB076245 |
Product Name: |
Methyl 2-(1-Methyl-1H-pyrazol-4-yl)acetate |
CAS: |
1248548-23-3 |
Synonyms: |
Methyl 2-(1-methyl-1H-pyrazol-4-yl)acetate; methyl 2-(1-methylpyrazol-4-yl)acetate; Methyl2-(1-methyl-1H-pyrazol-4-yl)acetate |
IUPAC Name: | methyl 2-(1-methylpyrazol-4-yl)acetate |
Description: | Methyl 2-(1-methyl-1H-pyrazol-4-yl)acetate (cas# 1248548-23-3) is a useful research chemical. |
Molecular Weight: | 154.16 |
Molecular Formula: | C7H10N2O2 |
Canonical SMILES: | CN1C=C(C=N1)CC(=O)OC |
InChI: | InChI=1S/C7H10N2O2/c1-9-5-6(4-8-9)3-7(10)11-2/h4-5H,3H2,1-2H3 |
InChI Key: | GQPDBLNFHVXFRN-UHFFFAOYSA-N |
References: | Nosik, P. S., et al. J. Fluor. Chem., 217, 80 (2019). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.074227566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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