3-Ethoxyacrylic acid - CAS 6192-01-4
Catalog: |
BB031326 |
Product Name: |
3-Ethoxyacrylic acid |
CAS: |
6192-01-4 |
Synonyms: |
2-Propenoic acid, 3-ethoxy-; 3-Ethoxy-2-propenoic acid; Acrylic acid, 3-ethoxy-; NSC 364201 |
Related CAS: | 14674-80-7 (2E-isomer)
|
IUPAC Name: | 3-ethoxyprop-2-enoic acid |
Molecular Weight: | 116.12 |
Molecular Formula: | C5H8O3 |
Canonical SMILES: | CCOC=CC(=O)O |
InChI: | InChI=1S/C5H8O3/c1-2-8-4-3-5(6)7/h3-4H,2H2,1H3,(H,6,7) |
InChI Key: | SYMAGJYJMLUEQE-UHFFFAOYSA-N |
Boiling Point: | 70-140°C at 1 Torr |
Melting Point: | 109-112°C |
Purity: | 95% |
Density: | 1.1100 g/cm3 |
Appearance: | Solid |
Storage: | Store at RT |
MDL: | MFCD01566841 |
LogP: | 0.62120 |
GHS Hazard Statement: | H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P333+P313, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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Complexity: | 95.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 116.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 116.047344113 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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