Home Nitriles 3-Oxo-1,3-dihydroisobenzofuran-5-carbonitrile

3-Oxo-1,3-dihydroisobenzofuran-5-carbonitrile

CAS No.:
89877-62-3
Catalog Number:
AG003JUN
Molecular Formula:
C9H5NO2
Molecular Weight:
159.1415
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$246
- +
1g
95%
1 week
United States
$557
- +
Product Description
Catalog Number:
AG003JUN
Chemical Name:
3-Oxo-1,3-dihydroisobenzofuran-5-carbonitrile
CAS Number:
89877-62-3
Molecular Formula:
C9H5NO2
Molecular Weight:
159.1415
MDL Number:
MFCD03428560
IUPAC Name:
3-oxo-1H-2-benzofuran-5-carbonitrile
InChI:
InChI=1S/C9H5NO2/c10-4-6-1-2-7-5-12-9(11)8(7)3-6/h1-3H,5H2
InChI Key:
SHFPTPKYWROKQJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)C(=O)OC2
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.032g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.144g/mol
Monoisotopic Mass:
159.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties