200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 123732-13-8
123732-13-8 | Benzonitrile, 4-(3-oxo-1-cyclohexen-1-yl)-
CAS No: 123732-13-8 Catalog No: AG000L1A MDL No:
Product Description
Catalog Number:
AG000L1A
Chemical Name:
Benzonitrile, 4-(3-oxo-1-cyclohexen-1-yl)-
CAS Number:
123732-13-8
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
IUPAC Name:
4-(3-oxocyclohexen-1-yl)benzonitrile
InChI:
InChI=1S/C13H11NO/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h4-8H,1-3H2
InChI Key:
WOUZSJJBQYTGEB-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1=CC(=O)CCC1
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.