Ethyl 2-hydroxycinnamate - CAS 17041-46-2
Catalog: |
BB054015 |
Product Name: |
Ethyl 2-hydroxycinnamate |
CAS: |
17041-46-2 |
Synonyms: |
2-Propenoic acid, 3-(2-hydroxyphenyl)-, ethyl ester; 3-(2-hydroxy-phenyl)-acrylic acid ethyl ester; P-Hydroxyl ethyl cinnamate; Ethyl 3-(2-hydroxyphenyl)acrylate |
Related CAS: | 3943-94-0 (Z-isomer) 6236-62-0 (E-isomer)
|
IUPAC Name: | ethyl 3-(2-hydroxyphenyl)prop-2-enoate |
Molecular Weight: | 192.21 |
Molecular Formula: | C11H12O3 |
Canonical SMILES: | CCOC(=O)C=CC1=CC=CC=C1O |
InChI: | InChI=1S/C11H12O3/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12/h3-8,12H,2H2,1H3 |
InChI Key: | SRBYHEKXHQYMRN-UHFFFAOYSA-N |
Boiling Point: | 321.7±17.0°C at 760 mmHg |
Melting Point: | 65-68°C |
Purity: | ≥95% |
Density: | 1.162±0.1 g/cm3 |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 2.2 |
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