200,000+ products from a single source!
sales@angenechem.com
203256-20-6 | Benzeneacetonitrile, 4-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-α-oxo-
CAS No: 203256-20-6 Catalog No: AG0028RV MDL No:
Product Description
Catalog Number:
AG0028RV
Chemical Name:
Benzeneacetonitrile, 4-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-α-oxo-
CAS Number:
203256-20-6
Molecular Formula:
C21H18N2O3
Molecular Weight:
346.3792
IUPAC Name:
4-[7-(diethylamino)-2-oxochromen-3-yl]benzoyl cyanide
InChI:
InChI=1S/C21H18N2O3/c1-3-23(4-2)17-10-9-16-11-18(21(25)26-20(16)12-17)14-5-7-15(8-6-14)19(24)13-22/h5-12H,3-4H2,1-2H3
InChI Key:
SWWHUDUIQPNVFF-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)oc(=O)c(c2)c1ccc(cc1)C(=O)C#N)CC
Properties
Complexity:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.132g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.386g/mol
Monoisotopic Mass:
346.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.