200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 116156-22-0
116156-22-0 | Benzonitrile, 4-(2,5-dihydro-5-oxo-4-phenyl-3-furanyl)-
CAS No: 116156-22-0 Catalog No: AG000BRN MDL No:
Product Description
Catalog Number:
AG000BRN
Chemical Name:
Benzonitrile, 4-(2,5-dihydro-5-oxo-4-phenyl-3-furanyl)-
CAS Number:
116156-22-0
Molecular Formula:
C17H11NO2
Molecular Weight:
261.2747
IUPAC Name:
4-(5-oxo-4-phenyl-2H-furan-3-yl)benzonitrile
InChI:
InChI=1S/C17H11NO2/c18-10-12-6-8-13(9-7-12)15-11-20-17(19)16(15)14-4-2-1-3-5-14/h1-9H,11H2
InChI Key:
XMVKHOBESLJQLW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.28g/mol
Monoisotopic Mass:
261.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.