Home Other Building Blocks Dubs-in-3

Dubs-in-3

CAS No.:
924296-17-3
Catalog Number:
AG00GU34
Molecular Formula:
C16H9N5O
Molecular Weight:
287.2756
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$640
- +
10mg
99%
1 week
United States
$890
- +
50mg
99%
1 week
United States
$2557
- +
100mg
99%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG00GU34
Chemical Name:
Dubs-in-3
CAS Number:
924296-17-3
Molecular Formula:
C16H9N5O
Molecular Weight:
287.2756
MDL Number:
MFCD11977747
IUPAC Name:
(9E)-9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
InChI:
InChI=1S/C16H9N5O/c1-2-7-22-21-15-11-6-4-3-5-10(11)14-16(15)20-13(9-18)12(8-17)19-14/h2-6H,1,7H2/b21-15+
InChI Key:
XLOXSIKLUAMDGU-RCCKNPSSSA-N
SMILES:
C=CCON=C1c2ccccc2c2c1nc(C#N)c(n2)C#N
Properties
Complexity:
568  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
287.081g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.282g/mol
Monoisotopic Mass:
287.081g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties