3-(4-Methoxyphenyl)hexane-1,2,6-tricarboxylic acid
Basic information
- CAS
4381-24-2- Standard SMILES
COc1ccc(C(CCCC(=O)O)C(CC(=O)O)C(=O)O)cc1- InChIKey
KENRMDZSAPYXPD-UHFFFAOYSA-N- Molecular formula
- C16H20O7
- Average molar mass
- 324.32 g/mol
- Monoisotopic mass
- 324.12090297
Names & identifiers
- Preferred name
- 3-(4-Methoxyphenyl)hexane-1,2,6-tricarboxylic acid
- IUPAC
- 3-(4-methoxyphenyl)hexane-1,2,6-tricarboxylic acid
Names & synonyms
4381-24-23-(4-methoxyphenyl)hexane-1,2,6-tricarboxylic acidNSC147733DTXSID00301983NSC-147733
Database identifiers
- CAS
4381-24-2- PubChem CID
- 287671
- DTXSID
DTXSID00301983
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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