Basic information
- CAS
38489-77-9- Standard SMILES
COc1ccc(/C=C/C(=O)O)c(O)c1- InChIKey
IKNVEOZIOFMENG-HWKANZROSA-N- Molecular formula
- C10H10O4
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.0579088
Overview
(E)-3-(2-hydroxy-4-methoxyphenyl)prop-2-enoic acid has been reported in Artemisia dracunculus with data available.
Names & identifiers
- Preferred name
- (E)-3-(2-Hydroxy-4-methoxyphenyl)acrylic acid
- IUPAC
- (E)-3-(2-hydroxy-4-methoxyphenyl)prop-2-enoic acid
- English name
- 3-(2-Hydroxy-4-methoxy-phenyl)-acrylic acid
- Molecular formula
- C10H10O4
- Molecular weight
- 194.18
Names & synonyms
(E)-3-(2-Hydroxy-4-methoxyphenyl)acrylic acid38489-77-93-(2-Hydroxy-4-methoxy-phenyl)-acrylic acid2-Propenoic acid, 3-(2-hydroxy-4-methoxyphenyl)-SCHEMBL766042orb3171312DTXSID801349285AKOS006280826(e)-2-hydroxy-4-methoxy cinnamic acidCS-0369016EN300-1829032T129022
Show more names
RARECHEM BK HW 00882-HYDROXY-4-METHOXYCINNAMIC ACID
(E)-3-(2-hydroxy-4-methoxyphenyl)prop-2-enoic acid
Database identifiers
- CAS
38489-77-9- PubChem CID
- 12840862
- DTXSID
DTXSID801349285
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Melting point
- 201 · 201-202 °C
- Boiling point
- 415.299 · 415.299±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.646 · 4.646±0.13(predicted)
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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