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176110-82-0 | 1,2-Benzenedicarbonitrile, 3-[(2,4-dimethylpentyl)oxy]-
CAS No: 176110-82-0 Catalog No: AG0021FY MDL No:MFCD15143441
Product Description
Catalog Number:
AG0021FY
Chemical Name:
1,2-Benzenedicarbonitrile, 3-[(2,4-dimethylpentyl)oxy]-
CAS Number:
176110-82-0
Molecular Formula:
C15H18N2O
Molecular Weight:
242.3162
MDL Number:
MFCD15143441
IUPAC Name:
3-(2,4-dimethylpentoxy)benzene-1,2-dicarbonitrile
InChI:
InChI=1S/C15H18N2O/c1-11(2)7-12(3)10-18-15-6-4-5-13(8-16)14(15)9-17/h4-6,11-12H,7,10H2,1-3H3
InChI Key:
RVXXQNGCGNUKNF-UHFFFAOYSA-N
SMILES:
CC(CC(C)C)COc1cccc(c1C#N)C#N
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.322g/mol
Monoisotopic Mass:
242.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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