Ethyl (2E)-3-(Pyridin-4-yl)-2-propenoate - CAS 123293-78-7
Catalog: |
BB065501 |
Product Name: |
Ethyl (2E)-3-(Pyridin-4-yl)-2-propenoate |
CAS: |
123293-78-7 |
Synonyms: |
(E)-ethyl 3-(pyridin-4-yl)acrylate; 3-Pyridin-4-yl-acrylic acid ethyl ester; Ethyl 3-(pyridin-4-yl)acrylate; ethyl (2E)-3-(pyridin-4-yl)prop-2-enoate; Ethyl (E)-3-pyridin-4-ylprop-2-enoate; ethyl (E)-3-(4-pyridinyl)-2-propenoate |
IUPAC Name: | ethyl (E)-3-pyridin-4-ylprop-2-enoate |
Molecular Weight: | 191.22 |
Molecular Formula: | C11H13NO2 |
Canonical SMILES: | CCOC(=O)C=CC1=CC=NC=C1 |
InChI: | InChI=1S/C10H11NO2/c1-2-13-10(12)4-3-9-5-7-11-8-6-9/h3-8H,2H2,1H3/b4-3+ |
InChI Key: | ABZPCWYIRGIXJP-ONEGZZNKSA-N |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 177.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.078978594 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 39.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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