CAS |
55620-18-3 |
Structure | |
Synonyms |
O-Acetyl-o-coumaric acid |
IUPAC Name |
(E)-3-(2-Acetyloxyphenyl)prop-2-enoic acid |
Molecular Weight |
206.19 |
Canonical SMILES |
CC(=O)OC1=CC=CC=C1C=CC(=O)O |
InChI |
InChI=1S/C11H10O4/c1-8(12)15-10-5-3-2-4-9(10)6-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-6+ |
InChI Key |
UXOWQQCLBQBRMQ-VOTSOKGWSA-N |
Boiling Point |
265.04 °C |
Melting Point |
156-158 °C |
Purity |
95%+ |
Density |
1.0858 g/mL at 25 °C(lit.) |
Exact Mass |
206.0579088 |
Isomeric SMILES |
CC(=O)OC1=CC=CC=C1/C=C/C(=O)O |
Monoisotopic Mass |
206.0579088 |
Refractive Index |
n20/D 1.4389(lit.) |
Topological Polar Surface Area |
63.6 Ų |
For Research Use Only. Not for use in diagnostic or therapeutic procedures.