Home Other Building Blocks Dubs-in-2

Dubs-in-2

CAS No.:
924296-19-5
Catalog Number:
AG00GU33
Molecular Formula:
C15H9N5O
Molecular Weight:
275.2649
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$640
- +
10mg
98%
1 week
United States
$890
- +
50mg
98%
1 week
United States
$2557
- +
100mg
98%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG00GU33
Chemical Name:
Dubs-in-2
CAS Number:
924296-19-5
Molecular Formula:
C15H9N5O
Molecular Weight:
275.2649
MDL Number:
MFCD28167759
IUPAC Name:
(9E)-9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
InChI:
InChI=1S/C15H9N5O/c1-2-21-20-14-10-6-4-3-5-9(10)13-15(14)19-12(8-17)11(7-16)18-13/h3-6H,2H2,1H3/b20-14+
InChI Key:
VKVAJBRQGBRHIK-XSFVSMFZSA-N
SMILES:
CCO/N=C\1/c2nc(C#N)c(nc2c2c1cccc2)C#N
Properties
Complexity:
527  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
275.081g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.271g/mol
Monoisotopic Mass:
275.081g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties