Basic information
- Standard SMILES
CCOC(=O)Cc1cccnc1- InChIKey
RPWXYCRIAGBAGY-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-pyridylacetate
- IUPAC
- ethyl 2-pyridin-3-ylacetate
- English name
- Pyridine-3-Acetic Acid Ethyl Ester
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.18914
Names & synonyms
Ethyl 3-pyridylacetateethyl 2-(pyridin-3-yl)acetateEthyl 3-pyridineacetate3-Pyridineacetic acid, ethyl esterEthyl 3-pyridinylacetateEA77BEX7VQEINECS 254-707-6NSC 76091BRN 0123827pyridin-3-ylacetic acid ethyl esterUNII-EA77BEX7VQNSC-76091
Show more names
Pyridine-3-Acetic Acid Ethyl Ester
(3-PYRIDYL)ACETIC ACID ETHYL ESTERDTXSID501929845-22-02-00315 (Beilstein Handbook Reference)2-(PYRIDIN-3-YL)ACETIC ACID ETHYL ESTERRefChem:138721DTXCID90115475254-707-6RPWXYCRIAGBAGY-UHFFFAOYSA-N
Database identifiers
- CAS
39931-71-6- UNII
- EA77BEX7VQ
- EC Number
- 254-707-6
- Nikkaji
- J3.816D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers1 total
OCEAN TRADING CORPORATION[email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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