Basic information
- CAS
917591-98-1- Standard SMILES
COc1ccc(CCCCCC(=O)O)c(OC)c1OC- InChIKey
ACUAOIKCWLIWBF-UHFFFAOYSA-N- Molecular formula
- C15H22O5
- Average molar mass
- 282.33 g/mol
- Monoisotopic mass
- 282.1467238
Names & identifiers
- Preferred name
- 6-(2,3,4-Trimethoxyphenyl)hexanoic acid
- IUPAC
- 6-(2,3,4-trimethoxyphenyl)hexanoic acid
Names & synonyms
6-(2,3,4-Trimethoxyphenyl)hexanoic acid917591-98-1SCHEMBL4143173DTXSID60656209
Database identifiers
- CAS
917591-98-1- PubChem CID
- 43589092
- DTXSID
DTXSID60656209
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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