Basic information
- CAS
4463-16-5- Standard SMILES
COc1cc(OC)c(OC)cc1CC(=O)O- InChIKey
GTIOLZZDMYEQGY-UHFFFAOYSA-N- Molecular formula
- C11H14O5
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.08412354
Names & identifiers
- Preferred name
- 2-(2,4,5-Trimethoxyphenyl)acetic acid
- IUPAC
- 2-(2,4,5-trimethoxyphenyl)acetic acid
- English name
- Benzeneacetic acid, 2,4,5-triMethoxy-
- Molecular formula
- C11H14O5
- Molecular weight
- 226.22586
Names & synonyms
2-(2,4,5-Trimethoxyphenyl)acetic acid4463-16-5SCHEMBL27917034AKOS0183614202-(2,4,5-Trimethoxyphenyl)aceticacidEN300-1838348Xylose Impurity 12-13C1Benzeneacetic acid, 2,4,5-triMethoxy-
Database identifiers
- CAS
4463-16-5- PubChem CID
- 15559652
- Nikkaji
- J1.747.476F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Chemistry & industry
Suppliers1 total
湖北扬信医药科技有限公司15347293736 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…