Basic information
- CAS
7152-21-8- Standard SMILES
COc1ccc(C=C(C)C(C)=O)cc1- InChIKey
XPZPSZIJTDXAGU-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Names & identifiers
- Preferred name
- 4-(4-Methoxyphenyl)-3-methylbut-3-en-2-one
- IUPAC
- 4-(4-methoxyphenyl)-3-methylbut-3-en-2-one
Names & synonyms
4-(4-methoxyphenyl)-3-methylbut-3-en-2-onemethylanisylidene acetoneNCIOpen2_000234SCHEMBL2443292DTXSID90864017DB-271525NS00043778
Database identifiers
- CAS
7152-21-8- PubChem CID
- 98003
- DTXSID
DTXSID90864017
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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