Basic information
- CAS
71847-91-1- Standard SMILES
CCC(=O)Oc1ccc[nH]c1=O- InChIKey
UDKIWOLJDMSVCN-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Names & identifiers
- Preferred name
- (2-oxo-1H-pyridin-3-yl) propanoate
- IUPAC
- (2-oxo-1H-pyridin-3-yl) propanoate
- English name
- (2-oxo-1H-pyridin-3-yl) propanoate
- Molecular formula
- C8H9NO3
- Molecular weight
- 0
Names & synonyms
(2-oxo-1H-pyridin-3-yl) propanoate71847-91-1NSC268720NSC-2687202-OXO-1,2-DIHYDROPYRIDIN-3-YL PROPANOATEJPX7SDS56KDTXSID70313311KC-3086, 3-(1-oxopropoxy)-3-(1-OXOPROPOXY)-2(1H)-PYRIDINONE2(1H)-PYRIDINONE, 3-(1-OXOPROPOXY)-
Database identifiers
- CAS
71847-91-1- PubChem CID
- 320593
- DTXSID
DTXSID70313311- UNII
- JPX7SDS56K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- FDA UNII
- 7 SDS56K · JPX7SDS56K
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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