Home Nitriles trans-2-[3-(4-tert-Butylphenyl)-2-methyl-2-propenylidene]malononitrile

trans-2-[3-(4-tert-Butylphenyl)-2-methyl-2-propenylidene]malononitrile

CAS No.:
300364-84-5
Catalog Number:
AG003UHC
Molecular Formula:
C17H18N2
Molecular Weight:
250.3382
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$275
- +
25g
98%
In Stock USA
United States
$1000
- +
Product Description
Catalog Number:
AG003UHC
Chemical Name:
trans-2-[3-(4-tert-Butylphenyl)-2-methyl-2-propenylidene]malononitrile
CAS Number:
300364-84-5
Molecular Formula:
C17H18N2
Molecular Weight:
250.3382
MDL Number:
MFCD03453260
IUPAC Name:
2-[(E)-3-(4-tert-butylphenyl)-2-methylprop-2-enylidene]propanedinitrile
InChI:
InChI=1S/C17H18N2/c1-13(10-15(11-18)12-19)9-14-5-7-16(8-6-14)17(2,3)4/h5-10H,1-4H3/b13-9+
InChI Key:
OIASAVWSBWJWBR-UKTHLTGXSA-N
SMILES:
N#CC(=C/C(=C/c1ccc(cc1)C(C)(C)C)/C)C#N
Properties
Complexity:
444  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
250.147g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.345g/mol
Monoisotopic Mass:
250.147g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Properties