3-(2-Oxo-1,2-dihydropyridin-1-yl)propanoic acid
Basic information
- CAS
68634-48-0- Standard SMILES
O=C(O)CCn1ccccc1=O- InChIKey
FGXRKDZZPDMPAQ-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Names & identifiers
- Preferred name
- 3-(2-Oxo-1,2-dihydropyridin-1-yl)propanoic acid
- IUPAC
- 3-(2-oxo-1-pyridinyl)propanoic acid
- English name
- 3-(2-oxopyridin-1(2H)-yl)propanoic acid
- Molecular formula
- C8H9NO3
- Molecular weight
- 167.16
Names & synonyms
3-(2-oxo-1,2-dihydropyridin-1-yl)propanoic acidRefChem:491270853-302-73-(2-oxopyridin-1(2H)-yl)propanoic acid68634-48-03-(2-oxopyridin-1-yl)propanoic acid1(2h)-pyridinepropanoic acid, 2-oxo-MFCD073912283-(2-oxo-1-pyridyl)propanoic acid3-(2-oxo-1(2H)-pyridinyl)propanoic acid3-(2-oxohydropyridyl)propanoic acidNSC148584
Show more names
2-Oxo-1(2H)-pyridinepropanoic acid1(2H)-Pyridinepropanoic acid, 2-oxo3-(2-oxo-1(2H)-pyridinyl)propanoic acid(SALTDATA: FREE)
3-(2-Oxo-2H-pyridin-1-yl)-propionic acidSCHEMBL21855432DTXSID20302093HMS1699L04ALBB-017893SBB072181STL1934093-(2-keto-1-pyridyl)propionic acid
Database identifiers
- CAS
68634-48-0- PubChem CID
- 288086
- DTXSID
DTXSID20302093- EC Number
- 853-302-7
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H303
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P271, P280, P301+P317, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 5 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335-H303
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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