200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 28657-79-6
28657-79-6 | [1,3]Dioxolo[4,5-g]cinnoline-3-carbonitrile, 1-ethyl-1,4-dihydro-4-oxo-
CAS No: 28657-79-6 Catalog No: AG002W0P MDL No:
Product Description
Catalog Number:
AG002W0P
Chemical Name:
[1,3]Dioxolo[4,5-g]cinnoline-3-carbonitrile, 1-ethyl-1,4-dihydro-4-oxo-
CAS Number:
28657-79-6
Molecular Formula:
C12H9N3O3
Molecular Weight:
243.2182
IUPAC Name:
1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile
InChI:
InChI=1S/C12H9N3O3/c1-2-15-9-4-11-10(17-6-18-11)3-7(9)12(16)8(5-13)14-15/h3-4H,2,6H2,1H3
InChI Key:
ZJNYDFMLLCPHFY-UHFFFAOYSA-N
SMILES:
N#Cc1nn(CC)c2c(c1=O)cc1c(c2)OCO1
EC Number:
249-132-2
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.222g/mol
Monoisotopic Mass:
243.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.9A^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.