3-cyanopropanoic acid - CAS 16051-87-9
Catalog: |
BB011640 |
Product Name: |
3-cyanopropanoic acid |
CAS: |
16051-87-9 |
Synonyms: |
3-cyanopropanoic acid; 3-cyanopropanoic acid |
IUPAC Name: | 3-cyanopropanoic acid |
Description: | 3-cyanopropanoic acid (CAS# 16051-87-9) is a useful research chemical. |
Molecular Weight: | 99.09 |
Molecular Formula: | C4H5NO2 |
Canonical SMILES: | C(CC(=O)O)C#N |
InChI: | InChI=1S/C4H5NO2/c5-3-1-2-4(6)7/h1-2H2,(H,6,7) |
InChI Key: | BXYQHDXDCJQOFD-UHFFFAOYSA-N |
Boiling Point: | 313.5 °C at 760 mmHg |
Density: | 1.2 g/cm3 |
LogP: | 0.37478 |
GHS Hazard Statement: | H319 (97.44%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2016096827-A1 | Tank-binding kinase inhibitor compounds | 20140926 |
US-2015353477-A1 | Pesticidal compositions and processes related thereto | 20140609 |
WO-2015191430-A1 | Pesticidal compositions and processes related thereto | 20140609 |
WO-2015142928-A1 | Dosing of cabozantinib formulations | 20140317 |
WO-2015134095-A1 | Thermal insulation | 20140305 |
PMID | Publication Date | Title | Journal |
22956486 | 20121101 | Comparative analysis of serotonin in equine plasma with liquid chromatography--tandem mass spectrometry and enzyme-linked immunosorbent assay | Journal of veterinary diagnostic investigation : official publication of the American Association of Veterinary Laboratory Diagnosticians, Inc |
22840647 | 20120831 | High-performance liquid chromatography with fast-scanning fluorescence detection and multivariate curve resolution for the efficient determination of galantamine and its main metabolites in serum | Analytica chimica acta |
22771261 | 20120817 | A multi-residue method for pesticides analysis in green coffee beans using gas chromatography-negative chemical ionization mass spectrometry in selective ion monitoring mode | Journal of chromatography. A |
22621882 | 20120801 | Quantification of tapentadol in canine plasma by HPLC with spectrofluorimetric detection: development and validation of a new methodology | Journal of pharmaceutical and biomedical analysis |
22556065 | 20120701 | Selective oxidative decarboxylation of amino acids to produce industrially relevant nitriles by vanadium chloroperoxidase | ChemSusChem |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 99.032028402 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 99.032028402 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 61.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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