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Home Nitriles (2,6-Dimethyl-4h-pyran-4-ylidene)malononitrile

(2,6-Dimethyl-4h-pyran-4-ylidene)malononitrile

CAS No.:
28286-88-6
Catalog Number:
AG003BLA
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(HPLC)(N)
1 week
United States
$219
- +
5g
>98.0%(HPLC)(N)
1 week
United States
$539
- +
Product Description
Catalog Number:
AG003BLA
Chemical Name:
(2,6-Dimethyl-4h-pyran-4-ylidene)malononitrile
CAS Number:
28286-88-6
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD00181519
IUPAC Name:
2-(2,6-dimethylpyran-4-ylidene)propanedinitrile
InChI:
InChI=1S/C10H8N2O/c1-7-3-9(4-8(2)13-7)10(5-11)6-12/h3-4H,1-2H3
InChI Key:
XYBUCJYJVULPHW-UHFFFAOYSA-N
SMILES:
N#CC(=C1C=C(C)OC(=C1)C)C#N
Properties
Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Investigation of 1H NMR chemical shifts of organic dye with hydrogen bonds and ring currents. The journal of physical chemistry. A 20110407
Synthesis and characterization of a class of donor-acceptor conjugated molecules: experiments and theoretical calculations. The journal of physical chemistry. A 20100408
Properties