Methyl 2-formyl-3,5-dimethoxyphenylacetate
Basic information
- CAS
602278-05-7- Standard SMILES
COC(=O)Cc1cc(OC)cc(OC)c1C=O- InChIKey
MHWNOIUZPADXIJ-UHFFFAOYSA-N- Molecular formula
- C12H14O5
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.08412354
Names & identifiers
- Preferred name
- Methyl 2-formyl-3,5-dimethoxyphenylacetate
- IUPAC
- methyl 2-(2-formyl-3,5-dimethoxyphenyl)acetate
- English name
- Methyl 2-forMyl-3,5-diMethoxyphenylacetate
- Molecular formula
- C12H14O5
- Molecular weight
- 238.24
Names & synonyms
methyl 2-formyl-3,5-dimethoxyphenylacetate602278-05-7METHYL 2-(2-FORMYL-3,5-DIMETHOXYPHENYL)ACETATESCHEMBL348538MHWNOIUZPADXIJ-UHFFFAOYSA-DB-129999InChI=1/C12H14O5/c1-15-9-4-8(5-12(14)17-3)10(7-13)11(6-9)16-2/h4,6-7H,5H2,1-3H3MHWNOIUZPADXIJ-UHFFFAOYSA-NBenzeneacetic acid, 2-formyl-3,5-dimethoxy-, methyl ester
Database identifiers
- CAS
602278-05-7- PubChem CID
- 11264899
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 378.2 · 378.2±37.0 °C(Predicted)
- Density
- 1.179 · 1.179±0.06 g/cm3(Predicted)
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Compound notes
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