Home Other Building Blocks 2,5-DIMETHOXYBENZENE-1,4-DIACETONITRILE

2,5-DIMETHOXYBENZENE-1,4-DIACETONITRILE

CAS No.:
38439-93-9
Catalog Number:
AG00BXPE
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
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Product Description
Catalog Number:
AG00BXPE
Chemical Name:
2,5-DIMETHOXYBENZENE-1,4-DIACETONITRILE
CAS Number:
38439-93-9
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD00800652
IUPAC Name:
2-[4-(cyanomethyl)-2,5-dimethoxyphenyl]acetonitrile
InChI:
InChI=1S/C12H12N2O2/c1-15-11-7-10(4-6-14)12(16-2)8-9(11)3-5-13/h7-8H,3-4H2,1-2H3
InChI Key:
ITOCIRIGKGMWME-UHFFFAOYSA-N
SMILES:
COc1cc(CC#N)c(cc1CC#N)OC
NSC Number:
168498
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties