3-(2,4-diethoxyphenyl)prop-2-enoic Acid
Basic information
- CAS
423736-06-5- Standard SMILES
CCOc1ccc(C=CC(=O)O)c(OCC)c1- InChIKey
OCSURSYLLPHFLE-UHFFFAOYSA-N- Molecular formula
- C13H16O4
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.10485899
Names & identifiers
- Preferred name
- 3-(2,4-diethoxyphenyl)prop-2-enoic Acid
- IUPAC
- 3-(2,4-diethoxyphenyl)prop-2-enoic acid
- English name
- CHEMBRDG-BB 5975111
- Molecular formula
- C13H16O4
- Molecular weight
- 236.26
Names & synonyms
3-(2,4-diethoxyphenyl)prop-2-enoic AcidDTXSID40358118RefChem:273413DTXCID30309174423736-06-52,4-DiathoxyzimtsaureAKOS030253912CHEMBRDG-BB 5975111RARECHEM AL BK 08203-(2,4-diethoxyphenyl)acrylic acid(2E)-3-(2,4-DIETHOXYPHENYL)ACRYLIC ACID3-(2,4-Diethoxyphenyl)-2-propenoic acid
Show more names
2-Propenoic acid, 3-(2,4-diethoxyphenyl)-(2E)-3-(2,4-diethoxyphenyl)prop-2-enoic acid(2E)-3-(2,4-diethoxyphenyl)acrylic acid(SALTDATA: FREE)
Database identifiers
- CAS
423736-06-5- PubChem CID
- 877707
- DTXSID
DTXSID40358118
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 404.8 · 404.8±30.0 °C(Predicted)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
- pka
- 4.62 · 4.62±0.13(Predicted)
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Compound notes
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