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Basic information
- CAS
53327-14-3- Standard SMILES
C=CCOc1ccccc1C(C)=O- InChIKey
FJRGLCZRSCMXSW-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- 2'-Allyloxyacetophenone
- IUPAC
- 1-(2-prop-2-enoxyphenyl)ethanone
- English name
- Ethanone,1-[2-(2-propen-1-yloxy)phenyl]-
- Molecular formula
- C11H12O2
- Molecular weight
- 176.21
Names & synonyms
53327-14-32'-allyloxyacetophenoneDTXSID40305884RefChem:241108DTXCID202570142'-(Allyloxy)acetophenone1-(2-prop-2-enoxyphenyl)ethanoneMFCD000262181-(2-(Allyloxy)phenyl)ethan-1-oneEthanone, 1-[(2-propenyloxy)phenyl]-1-[2-(Allyloxy)phenyl]ethanoneNSC172510
Show more names
2-(Allyloxy)acetophenone2’-(Allyloxy)acetophenoneEthanone,1-[2-(2-propen-1-yloxy)phenyl]-
o-allyloxyacetophenone2?-(Allyloxy)acetophenone1-(2-allyloxyphenyl)ethanoneSCHEMBL13194091-(2-allyloxy-phenyl)-ethanoneFJRGLCZRSCMXSW-UHFFFAOYSA-NAC6310AKOS000175356
Database identifiers
- CAS
53327-14-3- PubChem CID
- 299441
- DTXSID
DTXSID40305884- Nikkaji
- J859.995E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- 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
- Boiling point
- 125 · 125-126 °C(Press: 7 Torr)
- Density
- 1.018 · 1.018±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2914500090 · 2914500090
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
- hs_code
- 2914500090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Related reactions
11 records
Compound notes
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