Basic information
- CAS
6283-81-4- Standard SMILES
CCOC(=O)CC(=O)c1cccnc1- InChIKey
APQGYFNHIWMRIJ-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Names & identifiers
- Preferred name
- Ethyl 3-oxo-3-(pyridin-3-yl)propanoate
- IUPAC
- ethyl 3-oxo-3-pyridin-3-ylpropanoate
- English name
- 3-OXO-3-PYRIDIN-3-YL-PROPIONIC ACID ETHYL ESTER
- Molecular formula
- C10H11NO3
- Molecular weight
- 193.2
Names & synonyms
6283-81-4ethyl 3-oxo-3-(pyridin-3-yl)propanoateDTXSID20278486RefChem:1084874DTXCID10229644880-122-63-Oxo-3-pyridin-3-yl-propionic acid ethyl esterethyl 3-oxo-3-pyridin-3-ylpropanoateMFCD00160418ETHYL NICOTINOYLACETATEETHYL 3-OXO-3-(3-PYRIDYL)PROPIONATEETHYL 3-OXO-3-(3-PYRIDYL)PROPANOATE
Show more names
TIMTEC-BB SBB010886ETHYL-3-PYRIDOYL ACETATEEthyl 3-oxo-3-(pyridin-3-yl)3-oxo-3-(3-pyridyl)propanoic acid ethyl ester3-Pyridinepropanoic acid, β-oxo-, ethyl ester
ETHYL 3-OXO-3-(3-PYRIDINYL)PROPIONATENSC7725SCHEMBL81386CHEMBL2035666ALBB-006289Ethyl-2-(3-pyridylcarbonyl)acetateNSC-7725NSC32400
Database identifiers
- CAS
6283-81-4- PubChem CID
- 222197
- DTXSID
DTXSID20278486- ChEMBL
CHEMBL2035666- EC Number
- 880-122-6
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 217 °C · 217 °C
- Boiling point
- 125 · 125-135 °C(Press: 1 Torr)
- Density
- 1.155 · 1.155±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- pka
- 9.47 · 9.47±0.46(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers61 total
上海埃逸科技有限公司13916181326 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
苏州新瑞生物科技有限公司13401437572 · [email protected]
Related reactions
12 records
Compound notes
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