4-Methoxy-1-(pyridin-3-yl)butan-1-one
Basic information
- CAS
127686-50-4- Standard SMILES
COCCCC(=O)c1cccnc1- InChIKey
OSMVQPZBXMOVLI-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- 4-Methoxy-1-(pyridin-3-yl)butan-1-one
- IUPAC
- 4-methoxy-1-pyridin-3-ylbutan-1-one
Names & synonyms
4-methoxy-1-(pyridin-3-yl)butan-1-one127686-50-4RefChem:524469867-661-2AKOS011913055EN300-8070097Z992963354
Database identifiers
- CAS
127686-50-4- PubChem CID
- 15085522
- EC Number
- 867-661-2
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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