Determine the necessary mass, volume, or concentration for preparing a solution.
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SKU | Size | Availability | Price | Qty |
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E404866-5g | 5g | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $203.90 | |
E404866-25g | 25g | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $789.90 |
Synonyms | 3-(4-Propoxyphenyl)acrylic acid | 69033-81-4 | 4-Propoxycinnamic Acid | (E)-3-(4-Propoxyphenyl)acrylic acid | 151539-67-2 | (2E)-3-(4-propoxyphenyl)prop-2-enoic acid | 2-Propenoic acid, 3-(4-propoxyphenyl)-, (2E)- | (E)-3-(4-propoxyphenyl)prop-2-enoic acid | MFCD00995149 |
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Specifications & Purity | ≥97%(GC)(T) |
IUPAC Name | (E)-3-(4-propoxyphenyl)prop-2-enoic acid |
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INCHI | InChI=1S/C12H14O3/c1-2-9-15-11-6-3-10(4-7-11)5-8-12(13)14/h3-8H,2,9H2,1H3,(H,13,14)/b8-5+ |
InChi Key | WTYNDSOJMSGRQV-VMPITWQZSA-N |
Canonical SMILES | CCCOC1=CC=C(C=C1)C=CC(=O)O |
Isomeric SMILES | CCCOC1=CC=C(C=C1)/C=C/C(=O)O |
Molecular Weight | 206.24 |
Reaxy-Rn | 2720342 |
Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2720342&ln= |
Melt Point(°C) | 168 °C |
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Molecular Weight | 206.240 g/mol |
XLogP3 | 2.700 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 5 |
Exact Mass | 206.094 Da |
Monoisotopic Mass | 206.094 Da |
Topological Polar Surface Area | 46.500 Ų |
Heavy Atom Count | 15 |
Formal Charge | 0 |
Complexity | 215.000 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
The total count of all stereochemical bonds | 1 |
Covalently-Bonded Unit Count | 1 |
Pictogram(s) | GHS07 |
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Signal | Warning |
Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation |
Precautionary Statements | P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P264:Wash hands [and …] thoroughly after handling. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. |
Reaxy-Rn | 2720342 |
Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2720342&ln= |