Basic information
- CAS
22480-88-2- Standard SMILES
COc1ccc(C(C)C(=O)[O-])c(OC)c1OC- InChIKey
YAURVMGBGYEPTE-UHFFFAOYSA-M- Molecular formula
- C12H15O5-
- Average molar mass
- 239.24 g/mol
- Monoisotopic mass
- 239.09194857
Names & identifiers
- Preferred name
- 2-(2,3,4-Trimethoxyphenyl)propanoate
- IUPAC
- 2-(2,3,4-trimethoxyphenyl)propanoate
- English name
- Methyl-2,3,4-trimethoxyphenylacetate
- Molecular formula
- C12H16O5
- Molecular weight
- 240.25
Names & synonyms
2-(2,3,4-trimethoxyphenyl)propanoateDTXSID90703351DB-0459312,3,4-Trimethoxyphenyl propionateMethyl-2,3,4-trimethoxyphenylacetate2,3,4-TRIMETHOXYPHENYLACETIC ACID METHYL ESTER
Database identifiers
- CAS
22480-88-2- PubChem CID
- 53446751
- DTXSID
DTXSID90703351
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- -1
- Complexity
- 250
Physicochemical properties
- Boiling point
- 170 · 170-174 °C(Press: 22 Torr)
- Density
- 1.121 · 1.121±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Applications
UsesMethyl 2,3,4-trimethoxyphenyl acetate (cas# 22480-88-2) is a useful intermediate used in the preparation of lespeflorin I1 and psoralidin derivatives with anticancer properties.
Suppliers8 total
Apin Chemicals Limited (UK)[email protected]
Carbone Scientific CO., LTD[email protected]
APIN-NP[email protected]
PFALTZ-BAUER[email protected]
先进技术工业有限公司[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Service Chemical Inc.[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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