(E)-Ethyl 3-(3-hydroxy-4-methoxyphenyl)acrylate
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Basic information
- CAS
155401-23-3- Standard SMILES
CCOC(=O)/C=C/c1ccc(OC)c(O)c1- InChIKey
ONOCGKVKAPMGRX-FNORWQNLSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.08920892
Overview
(E)-Ethyl 3-(3-hydroxy-4-methoxyphenyl)acrylate has been reported in Ligularia subspicata and Camptacra gracilis with data available.
Names & identifiers
- Preferred name
- (E)-Ethyl 3-(3-hydroxy-4-methoxyphenyl)acrylate
- IUPAC
- ethyl (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
- English name
- (E)-3-(3-Hydroxy-4-methoxyphenyl)-2-propenoic acid ethyl ester
- Molecular formula
- C12H14O4
- Molecular weight
- 222.24
Names & synonyms
(E)-Ethyl 3-(3-hydroxy-4-methoxyphenyl)acrylateethyl (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoateRefChem:1050929155401-23-3Ethyl (E)-3'-hydroxy-4'-methoxycinnamate(E)-3-(3-Hydroxy-4-methoxyphenyl)-2-propenoic acid ethyl esterethyl isoferulate84428-15-9Ethyl 3-(3-Hydroxy-4-methoxyphenyl)-2-propenoateorb1991100SCHEMBL31247977AKOS022184328
Show more names
Ferulic Acid Impurity 11Ethyl (E)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate2-Propenoic acid-3-(3-hydroxy-4-methoxyphenyl)-ethyl ester2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-, ethyl ester, (2E)-
FS-7678DB-24722110.14272/ONOCGKVKAPMGRX-FNORWQNLSA-N(E)-Ethyl3-(3-hydroxy-4-methoxyphenyl)acrylatedoi:10.14272/ONOCGKVKAPMGRX-FNORWQNLSA-NT125739
Database identifiers
- CAS
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Melting point
- 57.4 · 57.4-58.7 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
- Boiling point
- 380.7 · 380.7±32.0 °C(Predicted)
- Density
- 1.173 · 1.173
- pka
- 9.46 · 9.46±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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