Methyl pyridazine-4-carboxylate - CAS 34231-77-1
Catalog: |
BB022017 |
Product Name: |
Methyl pyridazine-4-carboxylate |
CAS: |
34231-77-1 |
Synonyms: |
methyl pyridazine-4-carboxylate |
IUPAC Name: | methyl pyridazine-4-carboxylate |
Description: | Methyl pyridazine-4-carboxylate (CAS# 34231-77-1) is a useful research chemical. |
Molecular Weight: | 138.12 |
Molecular Formula: | C6H6N2O2 |
Canonical SMILES: | COC(=O)C1=CN=NC=C1 |
InChI: | InChI=1S/C6H6N2O2/c1-10-6(9)5-2-3-7-8-4-5/h2-4H,1H3 |
InChI Key: | IJFLWNYKGMQQOW-UHFFFAOYSA-N |
Boiling Point: | 281.3 °C at 760 mmHg |
Density: | 1.213 g/cm3 |
MDL: | MFCD09953488 |
LogP: | 0.26320 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3875452-A1 | Monoacylglycerol lipase inhibitors | 20200304 |
WO-2021175913-A1 | Monoacylglycerol lipase inhibitors | 20200304 |
WO-2020161248-A1 | Herbicidal compounds | 20190208 |
WO-2020161138-A1 | Pyridazinium compounds for use in controlling unwanted plant growth | 20190207 |
WO-2020099367-A1 | Herbicidal compounds | 20181112 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.042927438 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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