Basic information
- CAS
52955-40-5- Standard SMILES
COC=C(Br)C=O- InChIKey
IKAXVYVALZRMES-UHFFFAOYSA-N- Molecular formula
- C4H5BrO2
- Average molar mass
- 164.99 g/mol
- Monoisotopic mass
- 163.94729
Names & identifiers
- Preferred name
- 2-Propenal, 2-bromo-3-methoxy-
- IUPAC
- 2-bromo-3-methoxyprop-2-enal
Names & synonyms
2-Propenal, 2-bromo-3-methoxy-DTXSID0068818EINECS 258-274-4RefChem:478776DTXCID204133152955-40-52-bromo-3-methoxy-acroleinSCHEMBL8626148
Database identifiers
- CAS
52955-40-5- PubChem CID
- 93282
- DTXSID
DTXSID0068818- EC Number
- 258-274-4
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 87.7
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propenal, 2-bromo-3-methoxy-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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