2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-
Basic information
- CAS
636-01-1- Standard SMILES
O=C(O)C=Cc1cc(O)ccc1O- InChIKey
JXIPYOZBOMUUCA-UHFFFAOYSA-N- Molecular formula
- C9H8O4
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.04225873
Overview
2,5-Dihydroxycinnamic acid has been reported in Grevillea robusta with data available.
Names & identifiers
- Preferred name
- 2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-
- IUPAC
- 3-(2,5-dihydroxyphenyl)prop-2-enoic acid
- English name
- 2,5-Dihydroxycinnamic acid
- Molecular formula
- C9H8O4
- Molecular weight
- 180.16
Names & synonyms
2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-SCHEMBL344639SCHEMBL29763068AKOS028111155DB-015158Q4596785Grevillic acidRARECHEM BK HW 01402,5-Dihydroxycinnamic acid(2E)-2,5-DIHYDROXYCINNAMIC ACID3-(2,5-Dihydroxy-phenyl)-acrylicacid(E)-3-(2,5-Dihydroxyphenyl)acrylic acid
Show more names
(2E)-3-(2,5-DIHYDROXYPHENYL)ACRYLIC ACID
Database identifiers
- CAS
636-01-1- PubChem CID
- 181581
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Melting point
- 207 °C · 207 °C
- Boiling point
- 457.8 · 457.8±35.0 °C(Predicted)
- Density
- 1.478 · 1.478±0.06 g/cm3(Predicted)
- pka
- 4.45 · 4.45±0.10(Predicted)
- CAS DataBase Reference
- 636 · 636-01-1(CAS DataBase Reference)
- FDA UNII
- 6 EHK92QE99 · 6EHK92QE99
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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