Ethyl 2-Cyano-3-(3-pyridyl)acrylate - CAS 17999-71-2
Catalog: |
BB013633 |
Product Name: |
Ethyl 2-Cyano-3-(3-pyridyl)acrylate |
CAS: |
17999-71-2 |
Synonyms: |
2-cyano-3-(3-pyridinyl)-2-propenoic acid ethyl ester; ethyl 2-cyano-3-pyridin-3-ylprop-2-enoate |
IUPAC Name: | ethyl (E)-2-cyano-3-pyridin-3-ylprop-2-enoate |
Description: | Ethyl 2-Cyano-3-(3-pyridyl)acrylate (CAS# 17999-71-2 ) is a useful research chemical. |
Molecular Weight: | 202.21 |
Molecular Formula: | C11H10N2O2 |
Canonical SMILES: | CCOC(=O)C(=CC1=CN=CC=C1)C#N |
InChI: | InChI=1S/C11H10N2O2/c1-2-15-11(14)10(7-12)6-9-4-3-5-13-8-9/h3-6,8H,2H2,1H3 |
InChI Key: | BMMBXBIFKMYOLF-UHFFFAOYSA-N |
LogP: | 1.55168 |
Publication Number | Title | Priority Date |
CN-103351270-A | Method for catalyzing Knoevenagel condensation reaction by using function ion liquid | 20130515 |
CN-103351270-B | Method for catalyzing Knoevenagel condensation reaction by using function ion liquid | 20130515 |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 202.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.074227566 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 63 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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