Home Nitriles 3-(2-Methylfuran-3-yl)-3-oxopropanenitrile

3-(2-Methylfuran-3-yl)-3-oxopropanenitrile

CAS No.:
158386-97-1
Catalog Number:
AG001Q5H
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$227
- +
5g
1 week
United States
$670
- +
Product Description
Catalog Number:
AG001Q5H
Chemical Name:
3-(2-Methylfuran-3-yl)-3-oxopropanenitrile
CAS Number:
158386-97-1
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD00068045
IUPAC Name:
3-(2-methylfuran-3-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C8H7NO2/c1-6-7(3-5-11-6)8(10)2-4-9/h3,5H,2H2,1H3
InChI Key:
GHZZELMXQVEVPO-UHFFFAOYSA-N
SMILES:
Cc1occc1C(=O)CC#N
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
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