1-[3-(Allyloxy)phenyl]ethanone
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Basic information
- CAS
58621-54-8- Standard SMILES
C=CCOc1cccc(C(C)=O)c1- InChIKey
ZRQBATDEVGIBAS-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- 1-[3-(Allyloxy)phenyl]ethanone
- IUPAC
- 1-(3-prop-2-enoxyphenyl)ethanone
- English name
- CHEMBRDG-BB 3018393
- Molecular formula
- C11H12O2
- Molecular weight
- 176.21
Names & synonyms
1-[3-(allyloxy)phenyl]ethanone58621-54-81-(3-(Allyloxy)phenyl)ethanone1-(3-prop-2-enoxyphenyl)ethanoneMFCD039004371-[3-(prop-2-en-1-yloxy)phenyl]ethanone1-(3-(Allyloxy)phenyl)ethan-1-one1-[3-(prop-2-en-1-yloxy)phenyl]ethan-1-one1-(3-Allyloxy-phenyl)-ethanoneNSC86587Ethanone,1-[3-(2-propen-1-yloxy)phenyl]-NCIOpen2_001225
Show more names
IVK/1415737CHEMBRDG-BB 30183933'-allyloxyacetophenoneEthanone, 1-[3-(2-propen-1-yloxy)phenyl]-1-[3-(allyloxy)phenyl]ethanone(SALTDATA: FREE)
1-(3-allyloxyphenyl)ethanoneSCHEMBL1092605DTXSID00292963ZRQBATDEVGIBAS-UHFFFAOYSA-N1-acetyl-3-prop-2-enyloxybenzeneALBB-002906BBL017141NSC-86587
Database identifiers
- CAS
58621-54-8- PubChem CID
- 257958
- DTXSID
DTXSID00292963
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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