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Home Nitriles 2-Furoylacetonitrile

2-Furoylacetonitrile

CAS No.:
31909-58-7
Catalog Number:
AG003HCO
Molecular Formula:
C7H5NO2
Molecular Weight:
135.1201
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$57
- +
25g
98%
In Stock USA
United States
$232
- +
100g
98%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG003HCO
Chemical Name:
2-Furoylacetonitrile
CAS Number:
31909-58-7
Molecular Formula:
C7H5NO2
Molecular Weight:
135.1201
MDL Number:
MFCD00166991
IUPAC Name:
3-(furan-2-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C7H5NO2/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5H,3H2
InChI Key:
RZNSHBXVTAHWPP-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccco1
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.032g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.122g/mol
Monoisotopic Mass:
135.032g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
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