Ethyl trans-α-cyanocinnamate - CAS 2169-69-9
Catalog: |
BB017092 |
Product Name: |
Ethyl trans-α-cyanocinnamate |
CAS: |
2169-69-9 |
Synonyms: |
ethyl (E)-2-cyano-3-phenylprop-2-enoate |
IUPAC Name: | ethyl (E)-2-cyano-3-phenylprop-2-enoate |
Description: | Ethyl trans-α-cyanocinnamate (CAS# 2169-69-9 ) is a useful research chemical. |
Molecular Weight: | 201.22 |
Molecular Formula: | C12H11NO2 |
Canonical SMILES: | CCOC(=O)C(=CC1=CC=CC=C1)C#N |
InChI: | InChI=1S/C12H11NO2/c1-2-15-12(14)11(9-13)8-10-6-4-3-5-7-10/h3-8H,2H2,1H3/b11-8+ |
InChI Key: | KCDAMWRCUXGACP-DHZHZOJOSA-N |
Boiling Point: | 188 ℃ / 15 mmHg (lit.) |
MDL: | MFCD00009137 |
LogP: | 2.15668 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113416191-A | Method for synthesizing tricyclic framework 2-pyridone/2-pyridine imine compound | 20210427 |
CN-113145168-A | Application of Knoevenagel condensation reaction organic alkaline catalyst | 20210407 |
CN-113149865-A | Preparation method and application of organic basic catalyst for catalytic synthesis of alpha-ethyl cyanocinnamate | 20210407 |
CN-113149025-A | Spherical LTJ zeolite, and preparation method and application thereof | 20210312 |
CN-112754978-A | Moisturizing, relieving and repairing composition | 20210203 |
PMID | Publication Date | Title | Journal |
21324598 | 20110610 | Fumigant toxicity of cassia and cinnamon oils and cinnamaldehyde and structurally related compounds to Dermanyssus gallinae (Acari: Dermanyssidae) | Veterinary parasitology |
19259472 | 20070301 | Nematicidal Activity of Cassia and Cinnamon Oil Compounds and Related Compounds toward Bursaphelenchus xylophilus (Nematoda: Parasitaphelenchidae) | Journal of nematology |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 201.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.078978594 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 50.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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