Ethyl 3-benzoylacrylate - CAS 17450-56-5
Catalog: |
BB013016 |
Product Name: |
Ethyl 3-benzoylacrylate |
CAS: |
17450-56-5 |
Synonyms: |
ethyl (E)-4-oxo-4-phenylbut-2-enoate |
IUPAC Name: | ethyl (E)-4-oxo-4-phenylbut-2-enoate |
Description: | Ethyl 3-benzoylacrylate (CAS# 17450-56-5) is an impurity of Enalapril (E555250), an antihypertensive and an angiotensin-converting enzyme (ACE) inhibitor. |
Molecular Weight: | 204.22 |
Molecular Formula: | C12H12O3 |
Canonical SMILES: | CCOC(=O)C=CC(=O)C1=CC=CC=C1 |
InChI: | InChI=1S/C12H12O3/c1-2-15-12(14)9-8-11(13)10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+ |
InChI Key: | ACXLBHHUHSJENU-CMDGGOBGSA-N |
Boiling Point: | 184-185 ℃ (25 mmHg) |
Density: | 1.112 g/cm3 |
Appearance: | Yellow clear liquid |
MDL: | MFCD00011533 |
LogP: | 1.98860 |
GHS Hazard Statement: | H302: Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P333+P313, P362, P363, P391, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111607043-A | Contact lens material, preparation method thereof and contact lens | 20200522 |
CN-110408294-B | Anti-plasticizing bottom coating agent and preparation method and application thereof | 20190903 |
JP-2020079761-A | Temperature indicator and article management system using the same | 20181114 |
WO-2020083506-A1 | Curable organopolysiloxane compositions | 20181026 |
WO-2020083507-A1 | Curable organopolysiloxane compositions | 20181026 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 204.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.078644241 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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