Methyl 4-Pyridinylacetate - CAS 29800-89-3
Catalog: |
BB020326 |
Product Name: |
Methyl 4-Pyridinylacetate |
CAS: |
29800-89-3 |
Synonyms: |
2-pyridin-4-ylacetic acid methyl ester; methyl 2-pyridin-4-ylacetate |
IUPAC Name: | methyl 2-pyridin-4-ylacetate |
Description: | Methyl 4-Pyridinylacetate (CAS# 29800-89-3) is a useful research chemical. |
Molecular Weight: | 151.16 |
Molecular Formula: | C8H9NO2 |
Canonical SMILES: | COC(=O)CC1=CC=NC=C1 |
InChI: | InChI=1S/C8H9NO2/c1-11-8(10)6-7-2-4-9-5-3-7/h2-5H,6H2,1H3 |
InChI Key: | ZOKQLMMQYVXILS-UHFFFAOYSA-N |
Boiling Point: | 235.3 °C at 760 mmHg |
Density: | 1.115 g/cm3 |
MDL: | MFCD00972014 |
LogP: | 0.79710 |
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 |
WO-2020089453-A1 | Novel 6,7-dihydro-4h-pyrazolo[1,5-a]pyrazine indole-2-carboxamides active against the hepatitis b virus (hbv) | 20181102 |
WO-2020089459-A1 | Novel urea 6,7-dihydro-4h-pyrazolo[1,5-a]pyrazines active against the hepatitis b virus (hbv) | 20181102 |
TW-202031661-A | Novel 6,7-dihydro-4h-pyrazolo[1,5-a]pyrazine indole-2-carboxamides active against the hepatitis b virus (hbv) | 20181102 |
TW-202031662-A | Novel urea 6,7-dihydro-4h-pyrazolo[1,5-a]pyrazines active against the hepatitis b virus (hbv) | 20181102 |
CN-113039186-A | Urea 6, 7-dihydro-4H-pyrazolo [1,5-a ] pyrazine active agents against hepatitis b virus HBV | 20181102 |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.063328530 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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