Basic information
- CAS
832125-56-1- Standard SMILES
C=CC(C)=Cc1ccc(C(C)=O)c(OCC(=O)O)c1- InChIKey
XALAFIVMZXISPU-UHFFFAOYSA-N- Molecular formula
- C15H16O4
- Average molar mass
- 260.28 g/mol
- Monoisotopic mass
- 260.10485899
Names & identifiers
- Preferred name
- [2-Acetyl-5-(2-methylbuta-1,3-dien-1-yl)phenoxy]acetic acid
- IUPAC
- 2-[2-acetyl-5-(2-methylbuta-1,3-dienyl)phenoxy]acetic acid
Names & synonyms
832125-56-1DTXSID30835408[2-Acetyl-5-(2-methylbuta-1,3-dien-1-yl)phenoxy]acetic acid
Database identifiers
- CAS
832125-56-1- PubChem CID
- 71416005
- DTXSID
DTXSID30835408
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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