(2E)-3-(3-fluoropyridin-4-yl)prop-2-enoic acid - CAS 1567668-00-1
Catalog: |
BB066263 |
Product Name: |
(2E)-3-(3-fluoropyridin-4-yl)prop-2-enoic acid |
CAS: |
1567668-00-1 |
Synonyms: |
(2E)-3-(3-fluoropyridin-4-yl)prop-2-enoic acid; (E)-3-(3-fluoropyridin-4-yl)prop-2-enoic acid; 3-(3-Fluoro-4-pyridyl)acrylic acid; 3-(3-fluoropyridin-4-yl)prop-2-enoic acid |
IUPAC Name: | (E)-3-(3-fluoropyridin-4-yl)prop-2-enoic acid |
Description: | (2E)-3-(3-fluoropyridin-4-yl)prop-2-enoic acid |
Molecular Weight: | 167.14 |
Molecular Formula: | C8H6FNO2 |
Canonical SMILES: | C1=CN=CC(=C1C=CC(=O)O)F |
InChI: | InChI=1S/C8H6FNO2/c9-7-5-10-4-3-6(7)1-2-8(11)12/h1-5H,(H,11,12)/b2-1+ |
InChI Key: | CVHRBHXXXSAHAO-OWOJBTEDSA-N |
Complexity: | 194 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 167.0382566 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.0382566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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