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10137-67-4,MFCD01695650
Catalog No.:AA00048X
10137-67-4 | Ethyl 3-cyanopropanoate
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100mg
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$40.00   $28.00
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250mg
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00048X
Chemical Name:
Ethyl 3-cyanopropanoate
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
Computed 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  

Synonyms
 
Ethyl 3-cyanopropanoate 
10137-67-4 
BFSBTNGKMMFQNL-UHFFFAOYSA-N 
Q745927X6R 
Ethyl 3-cyanopropanoate # 
AC1L33BG 
WLN: NC2VO2 
SCHEMBL533711 
DTXSID10143876 
ALBB-016432 
NSC94973 
ZINC1615169 
Propanoic acid, 3-cyano-, ethyl ester 
ZX-AN015124 
7342AC 
MFCD01695650 
NSC-94973 
AKOS015959723 
Propanoic acid,3-cyano-, ethyl ester 
FCH1138177 
MCULE-9221721525 
AK544280 
AS-41886 
3-Cyanopropionic acid, ethyl ester 
AB0081349 
LS-124607 
Propanoic acid, 3-cyano-, ethyl ester (9CI) 
W-4057 
Propanoic acid, ethyl ester 
Propionic acid, ethyl ester 
C6H9NO2 
C6-H9-N-O2 
CID82393 
4-02-00-01923 (Beilstein Handbook Reference) 
Propionic acid, 3-cyano-, ethyl ester 
UNII-Q745927X6R 
ethyl 3-cyanopropionate 
NSC 94973 
BRN 1756022 
3-Cyanopropanoic acid ethyl ester 
Literature

Title: Crystal structures and solution properties of discrete complexes composed of saddle-distorted molybdenum(v)-dodecaphenylporphyrins and keggin-type heteropolyoxometalates linked by direct coordination.

Journal: Inorganic chemistry 20101206

Title: Candida albicans-produced farnesol stimulates Pseudomonas quinolone signal production in LasR-defective Pseudomonas aeruginosa strains.

Journal: Microbiology (Reading, England) 20101001

Title: Estimation of the ground and the first excited singlet-state dipole moments of 1,4-disubstituted anthraquinone dyes by the solvatochromic method.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100401

Title: Pharmacokinetics of cytisine after single intravenous and oral administration in rabbits.

Journal: Interdisciplinary toxicology 20100301

Title: Fullerenes for aromatic and non-aromatic N-nitrosamines discrimination.

Journal: Journal of chromatography. A 20090213

Title: 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.

Journal: Biomedical chromatography : BMC 20060101

Title: Liquid chromatography/fluorescence method for emamectin B1a and desmethylamino-emamectin B1a residues in lobster tissue.

Journal: Journal of AOAC International 20060101

Title: Chromium(VI) oxide catalyzed oxidation of sulfides to sulfones with periodic acid.

Journal: The Journal of organic chemistry 20030627

Title: Quantitative determination of phenolic diterpenes in rosemary extracts. Aspects of accurate quantification.

Journal: Journal of chromatography. A 20030502

Title: A peroxyoxalate chemiluminescence-based assay for the evaluation of hydrogen peroxide scavenging activity employing 9,10-diphenylanthracene as the fluorophore.

Journal: Journal of pharmacological and toxicological methods 20020101

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