3-(4-Pyridyl)propiolic Acid - CAS 66869-74-7
Catalog: |
BB033118 |
Product Name: |
3-(4-Pyridyl)propiolic Acid |
CAS: |
66869-74-7 |
Synonyms: |
3-pyridin-4-yl-2-propynoic acid; 3-pyridin-4-ylprop-2-ynoic acid |
IUPAC Name: | 3-pyridin-4-ylprop-2-ynoic acid |
Description: | 3-(4-Pyridyl)propiolic Acid (CAS# 66869-74-7 ) is a useful research chemical. |
Molecular Weight: | 147.13 |
Molecular Formula: | C8H5NO2 |
Canonical SMILES: | C1=CN=CC=C1C#CC(=O)O |
InChI: | InChI=1S/C8H5NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h3-6H,(H,10,11) |
InChI Key: | XXZFDZHMDVKNLX-UHFFFAOYSA-N |
LogP: | 0.51770 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2012067664-A1 | Compounds | 20101118 |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
US-3075968-A | Benzothiazepines | 19610918 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.032028402 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.032028402 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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