Home Nitriles 3,6-Dibutoxy-1,2-benzenedicarbonitrile

3,6-Dibutoxy-1,2-benzenedicarbonitrile

CAS No.:
75942-37-9
Catalog Number:
AG005TBF
Molecular Formula:
C16H20N2O2
Molecular Weight:
272.3422
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Product Description
Catalog Number:
AG005TBF
Chemical Name:
3,6-Dibutoxy-1,2-benzenedicarbonitrile
CAS Number:
75942-37-9
Molecular Formula:
C16H20N2O2
Molecular Weight:
272.3422
MDL Number:
MFCD00134586
IUPAC Name:
3,6-dibutoxybenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C16H20N2O2/c1-3-5-9-19-15-7-8-16(20-10-6-4-2)14(12-18)13(15)11-17/h7-8H,3-6,9-10H2,1-2H3
InChI Key:
RJFAMAFEWDBSLX-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(c(c1C#N)C#N)OCCCC
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.152g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.348g/mol
Monoisotopic Mass:
272.152g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties