200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 16954-74-8
16954-74-8 | 2-(1,3-Dioxo-1H-inden-2(3H)-ylidene)malononitrile
CAS No: 16954-74-8 Catalog No: AG003F11 MDL No:
Product Description
Catalog Number:
AG003F11
Chemical Name:
2-(1,3-Dioxo-1H-inden-2(3H)-ylidene)malononitrile
CAS Number:
16954-74-8
Molecular Formula:
C12H4N2O2
Molecular Weight:
208.1724
IUPAC Name:
2-(1,3-dioxoinden-2-ylidene)propanedinitrile
InChI:
InChI=1S/C12H4N2O2/c13-5-7(6-14)10-11(15)8-3-1-2-4-9(8)12(10)16/h1-4H
InChI Key:
WQFLMIPTYDGFOB-UHFFFAOYSA-N
SMILES:
N#CC(=C1C(=O)c2c(C1=O)cccc2)C#N
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.027g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.176g/mol
Monoisotopic Mass:
208.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.