3-Hydroxy-1-(4-methoxyphenyl)prop-2-en-1-one
Basic information
- CAS
62350-84-9- Standard SMILES
COc1ccc(C(=O)C=CO)cc1- InChIKey
RERQKFGKHQZDHH-UHFFFAOYSA-N- Molecular formula
- C10H10O3
- Average molar mass
- 178.18 g/mol
- Monoisotopic mass
- 178.06299418
Names & identifiers
- Preferred name
- 3-Hydroxy-1-(4-methoxyphenyl)prop-2-en-1-one
- IUPAC
- 3-hydroxy-1-(4-methoxyphenyl)prop-2-en-1-one
Names & synonyms
3-hydroxy-1-(4-methoxyphenyl)prop-2-en-1-one62350-84-9DTXSID40403374RefChem:279728DTXCID10354228SCHEMBL11879138
Database identifiers
- CAS
62350-84-9- PubChem CID
- 4445012
- DTXSID
DTXSID40403374
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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