Completing data — usually done within a minute
Basic information
- CAS
143101-63-7- Standard SMILES
CCOC=CC(=O)c1cccnc1- InChIKey
LGMAYGBRHZXXJX-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 3-Ethoxy-1-(3-pyridinyl)-2-propen-1-one
- IUPAC
- 3-ethoxy-1-pyridin-3-ylprop-2-en-1-one
Names & synonyms
SCHEMBL7399751DTXSID20708531LGMAYGBRHZXXJX-UHFFFAOYSA-NAKOS0173824573-ethoxy-1-(3-pyridinyl)-2-propen-1-one
Database identifiers
- CAS
143101-63-7- PubChem CID
- 54032326
- DTXSID
DTXSID20708531
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Related reactions
3 records
Compound notes
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