Home Nitriles 2-(1-Ethoxyethylidene)malononitrile

2-(1-Ethoxyethylidene)malononitrile

CAS No.:
5417-82-3
Catalog Number:
AG00DENZ
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$74
- +
100g
98%
In Stock USA
United States
$219
- +
500g
98%
In Stock USA
United States
$638
- +
Product Description
Catalog Number:
AG00DENZ
Chemical Name:
2-(1-Ethoxyethylidene)malononitrile
CAS Number:
5417-82-3
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
MDL Number:
MFCD00001852
IUPAC Name:
2-(1-ethoxyethylidene)propanedinitrile
InChI:
InChI=1S/C7H8N2O/c1-3-10-6(2)7(4-8)5-9/h3H2,1-2H3
InChI Key:
BOSVWXDDFBSSIZ-UHFFFAOYSA-N
SMILES:
CCOC(=C(C#N)C#N)C
EC Number:
226-521-5
NSC Number:
11585
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.064g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.154g/mol
Monoisotopic Mass:
136.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties