Methyl 1-[(2,6-dimethoxyphenoxy)methyl]-1H-pyrazole-3-carboxylate - CAS 1001499-95-1
Catalog: |
BB046553 |
Product Name: |
Methyl 1-[(2,6-dimethoxyphenoxy)methyl]-1H-pyrazole-3-carboxylate |
CAS: |
1001499-95-1 |
Synonyms: |
Methyl 1-((2,6-dimethoxyphenoxy)methyl)-1H-pyrazole-3-carboxylate; 1-(2,6-Dimethoxy-phenoxymethyl)-1H-pyrazole-3-carboxylic acid methyl ester |
IUPAC Name: | methyl 1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxylate |
Description: | Methyl 1-[(2,6-dimethoxyphenoxy)methyl]-1H-pyrazole-3-carboxylate (CAS# 1001499-95-1 ) is a useful research chemical. |
Molecular Weight: | 292.29 |
Molecular Formula: | C14H16N2O5 |
Canonical SMILES: | COC1=C(C(=CC=C1)OC)OCN2C=CC(=N2)C(=O)OC |
InChI: | InChI=1S/C14H16N2O5/c1-18-11-5-4-6-12(19-2)13(11)21-9-16-8-7-10(15-16)14(17)20-3/h4-8H,9H2,1-3H3 |
InChI Key: | RVVPOMNKONHEQE-UHFFFAOYSA-N |
Boiling Point: | 424.1±40.0 °C at 760 mmHg |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 329 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 292.10592162 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.10592162 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 71.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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