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161082-75-3 | 1,2-Benzenedicarbonitrile, 4-(dodecyloxy)-
CAS No: 161082-75-3 Catalog No: AG001VMG MDL No:MFCD00191413
Product Description
Catalog Number:
AG001VMG
Chemical Name:
1,2-Benzenedicarbonitrile, 4-(dodecyloxy)-
CAS Number:
161082-75-3
Molecular Formula:
C20H28N2O
Molecular Weight:
312.4491
MDL Number:
MFCD00191413
IUPAC Name:
4-dodecoxybenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C20H28N2O/c1-2-3-4-5-6-7-8-9-10-11-14-23-20-13-12-18(16-21)19(15-20)17-22/h12-13,15H,2-11,14H2,1H3
InChI Key:
SWVGQFFVXRAJRQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1ccc(c(c1)C#N)C#N
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.22g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.457g/mol
Monoisotopic Mass:
312.22g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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