Ethyl 3-pyridylacetate - CAS 39931-77-6
Catalog: |
BB024209 |
Product Name: |
Ethyl 3-pyridylacetate |
CAS: |
39931-77-6 |
Synonyms: |
ethyl 2-pyridin-3-ylacetate |
IUPAC Name: | ethyl 2-pyridin-3-ylacetate |
Description: | Ethyl 3-pyridylacetate (CAS# 39931-77-6) is a reagent in the preparation of piperidinylalkanoic acid derivatives as a potent α4β1 integrin antagonists. |
Molecular Weight: | 165.19 |
Molecular Formula: | C9H11NO2 |
Canonical SMILES: | CCOC(=O)CC1=CN=CC=C1 |
InChI: | InChI=1S/C9H11NO2/c1-2-12-9(11)6-8-4-3-5-10-7-8/h3-5,7H,2,6H2,1H3 |
InChI Key: | RPWXYCRIAGBAGY-UHFFFAOYSA-N |
Boiling Point: | 80 °C (0.4 torr) |
Purity: | 95 % |
Density: | 1.08 g/cm3 |
Appearance: | Colorless to yellow liquid |
LogP: | 1.18720 |
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 |
JP-2021130079-A | Liquid fixed quantity discharge device | 20200218 |
CN-111253395-A | Synthesis method of naphtho [1',2':4,5] imidazo [1,2-a ] pyridine-5, 6-diketone compound | 20200217 |
CN-111253395-B | Synthesis method of naphtho [1',2':4,5] imidazo [1,2-a ] pyridine-5, 6-diketone compound | 20200217 |
JP-2020098169-A | Heat treatment apparatus, heat treatment method, and article management system using the same | 20181219 |
JP-2020079761-A | Temperature indicator and article management system using the same | 20181114 |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.078978594 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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Pyridines
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