3-Hydroxycinnamic acid

• CAS: 14755-02-3
• Catalog Number: ACM14755023
• Category: Other Products
• Molecular Weight: 164.16
• Molecular Formula: C9H8O3
• Synonyms: Trans-3-hydroxycinnamic acid
• IUPAC Name: (E)-3-(3-Hydroxyphenyl)prop-2-enoic acid
• Canonical SMILES: C1=CC(=CC(=C1)O)C=CC(=O)O
• InChI: InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+
• InChI Key: KKSDGJDHHZEWEP-SNAWJCMRSA-N
• Boiling Point: 231.61 °C
• Melting Point: 193-195 °C(lit.)
• Flash Point: 193.7 °C
• Density: 1.1403 g/cm³
• Solubility: Soluble in methanol, benzene, ethanol, ther
• Appearance: Solid
• Storage: Sealed in dry, room temperature
• Complexity: 186
• Exact Mass: 164.047344113
• Isomeric SMILES: C1=CC(=CC(=C1)O)/C=C/C(=O)O
• Monoisotopic Mass: 164.047344113
• pKa: 4.38±0.10(Predicted)
• Refractive Index: 1.4500
• Topological Polar Surface Area: 57.5 Ų

Synthetic Use

Upstream Synthesis Route 1

• 555-68-0

• 14755-02-3

Reference: [1]Chemische Berichte,1904,vol. 37,p. 4127
[2]Journal of the Chemical Society,1923,vol. 123,p. 1482,1508
[3]Pharmazie,1961,vol. 16,p. 389 - 395

Downstream Synthesis Route 1

• 186581-53-3
• 14755-02-3

• 6099-04-3

Reference: [1] Phytochemistry (Elsevier), 1992, vol. 31, # 12, p. 4119 - 4124

Downstream Synthesis Route 2

• 14755-02-3

• 6968-35-0

Reference: [1] Journal of the American Chemical Society, 1944, vol. 66, p. 218,221

Downstream Synthesis Route 3

• 14755-02-3

• 10516-71-9

Reference: [1] Chemische Berichte, 1882, vol. 15, p. 2055

Downstream Synthesis Route 4

• 67-56-1
• 14755-02-3

• 3943-95-1

Reference: [1]Chemische Berichte,1904,vol. 37,p. 4127

* For details of the synthesis route, please refer to the original source to ensure accuracy.