Home Nitriles 2-(2,3-Dihydro-1h-inden-1-ylidene)malononitrile

2-(2,3-Dihydro-1h-inden-1-ylidene)malononitrile

CAS No.:
2510-01-2
Catalog Number:
AG00I4SB
Molecular Formula:
C12H8N2
Molecular Weight:
180.2053
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$74
- +
1g
97%
1 week
United States
$182
- +
Product Description
Catalog Number:
AG00I4SB
Chemical Name:
2-(2,3-Dihydro-1h-inden-1-ylidene)malononitrile
CAS Number:
2510-01-2
Molecular Formula:
C12H8N2
Molecular Weight:
180.2053
MDL Number:
MFCD00183563
IUPAC Name:
2-(2,3-dihydroinden-1-ylidene)propanedinitrile
InChI:
InChI=1S/C12H8N2/c13-7-10(8-14)12-6-5-9-3-1-2-4-11(9)12/h1-4H,5-6H2
InChI Key:
LCLMCAQMRSYSBG-UHFFFAOYSA-N
SMILES:
N#CC(=C1CCc2c1cccc2)C#N
NSC Number:
61801
Properties
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.069g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.21g/mol
Monoisotopic Mass:
180.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties