Basic information
- CAS
58523-18-5- Standard SMILES
CC(=O)Oc1ccc(C=CC(=O)Cl)cc1- InChIKey
FXTAOSIHTREOSA-UHFFFAOYSA-N- Molecular formula
- C11H9ClO3
- Average molar mass
- 224.64 g/mol
- Monoisotopic mass
- 224.0240218
Names & identifiers
- Preferred name
- 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)-
- IUPAC
- [4-(3-chloro-3-oxoprop-1-enyl)phenyl] acetate
Names & synonyms
p-acetoxycinnamoyl chloride2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)-58523-18-54-acetoxycinnamoyl chlorideSCHEMBL6964910DTXSID90343534FXTAOSIHTREOSA-UHFFFAOYSA-N4-(3-chloro-3-oxoprop-1-en-1-yl)phenyl acetate
Database identifiers
- CAS
58523-18-5- PubChem CID
- 590320
- DTXSID
DTXSID90343534
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 265
Related reactions
8 records
Compound notes
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