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10137-67-4 | Propanoic acid, 3-cyano-, ethyl ester
CAS No: 10137-67-4 Catalog No: AG0004BP MDL No:MFCD01695650
Product Description
Catalog Number:
AG0004BP
Chemical Name:
Propanoic acid, 3-cyano-, ethyl ester
CAS Number:
10137-67-4
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD01695650
IUPAC Name:
ethyl 3-cyanopropanoate
InChI:
InChI=1S/C6H9NO2/c1-2-9-6(8)4-3-5-7/h2-4H2,1H3
InChI Key:
BFSBTNGKMMFQNL-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC#N
UNII:
Q745927X6R
NSC Number:
94973
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Crystal structures and solution properties of discrete complexes composed of saddle-distorted molybdenum(v)-dodecaphenylporphyrins and keggin-type heteropolyoxometalates linked by direct coordination. | Inorganic chemistry 20101206 |
| Candida albicans-produced farnesol stimulates Pseudomonas quinolone signal production in LasR-defective Pseudomonas aeruginosa strains. | Microbiology (Reading, England) 20101001 |
| Estimation of the ground and the first excited singlet-state dipole moments of 1,4-disubstituted anthraquinone dyes by the solvatochromic method. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100401 |
| Pharmacokinetics of cytisine after single intravenous and oral administration in rabbits. | Interdisciplinary toxicology 20100301 |
| Fullerenes for aromatic and non-aromatic N-nitrosamines discrimination. | Journal of chromatography. A 20090213 |
| Simultaneous determination of six HIV protease inhibitors (amprenavir, indinavir, lopinavir, nelfinavir, ritonavir and saquinavir), the active metabolite of nelfinavir (M8) and non-nucleoside reverse transcriptase inhibitor (efavirenz) in human plasma by high-performance liquid chromatography. | Biomedical chromatography : BMC 20060101 |
| Liquid chromatography/fluorescence method for emamectin B1a and desmethylamino-emamectin B1a residues in lobster tissue. | Journal of AOAC International 20060101 |
| Chromium(VI) oxide catalyzed oxidation of sulfides to sulfones with periodic acid. | The Journal of organic chemistry 20030627 |
| Quantitative determination of phenolic diterpenes in rosemary extracts. Aspects of accurate quantification. | Journal of chromatography. A 20030502 |
| A peroxyoxalate chemiluminescence-based assay for the evaluation of hydrogen peroxide scavenging activity employing 9,10-diphenylanthracene as the fluorophore. | Journal of pharmacological and toxicological methods 20020101 |
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