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Home Carboxys Ethyl 1-cyanocyclopropanecarboxylate

Ethyl 1-cyanocyclopropanecarboxylate

CAS No.:
1558-81-2
Catalog Number:
AG001O8I
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$30
- +
25g
98%
In Stock USA
United States
$119
- +
100g
98%
In Stock USA
United States
$438
- +
500g
98%
In Stock USA
United States
$1600
- +
Product Description
Catalog Number:
AG001O8I
Chemical Name:
Ethyl 1-cyanocyclopropanecarboxylate
CAS Number:
1558-81-2
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD00040159
IUPAC Name:
ethyl 1-cyanocyclopropane-1-carboxylate
InChI:
InChI=1S/C7H9NO2/c1-2-10-6(9)7(5-8)3-4-7/h2-4H2,1H3
InChI Key:
FDZLCIITHLSEQK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CC1)C#N
NSC Number:
666530
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Synthesis, bioactivity, theoretical and molecular docking study of 1-cyano-N-substituted-cyclopropanecarboxamide as ketol-acid reductoisomerase inhibitor. Bioorganic & medicinal chemistry letters 20070701
Properties