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Home Nitriles 2-(2-Oxo-2-(4-methoxyphenyl)ethyl)malononitrile

2-(2-Oxo-2-(4-methoxyphenyl)ethyl)malononitrile

CAS No.:
26454-79-5
Catalog Number:
AG00CDUJ
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$168
- +
250mg
95%
In Stock USA
United States
$294
- +
1g
95%
In Stock USA
United States
$588
- +
5g
95%
In Stock USA
United States
$1764
- +
Product Description
Catalog Number:
AG00CDUJ
Chemical Name:
2-(2-Oxo-2-(4-methoxyphenyl)ethyl)malononitrile
CAS Number:
26454-79-5
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
MDL Number:
MFCD09835069
IUPAC Name:
2-[2-(4-methoxyphenyl)-2-oxoethyl]propanedinitrile
InChI:
InChI=1S/C12H10N2O2/c1-16-11-4-2-10(3-5-11)12(15)6-9(7-13)8-14/h2-5,9H,6H2,1H3
InChI Key:
XJCORKKNFKREHK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)CC(C#N)C#N
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
2-[2-(4-Meth-oxy-phen-yl)-2-oxoeth-yl]malononitrile. Acta crystallographica. Section E, Structure reports online 20110801
Properties