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128954-24-5 | 1,2-Benzenedicarbonitrile, 4-butyl-
CAS No: 128954-24-5 Catalog No: AG000YPR MDL No:
Product Description
Catalog Number:
AG000YPR
Chemical Name:
1,2-Benzenedicarbonitrile, 4-butyl-
CAS Number:
128954-24-5
Molecular Formula:
C12H12N2
Molecular Weight:
184.2371
IUPAC Name:
4-butylbenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C12H12N2/c1-2-3-4-10-5-6-11(8-13)12(7-10)9-14/h5-7H,2-4H2,1H3
InChI Key:
FPPCUGINEFWRQA-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(c(c1)C#N)C#N
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.242g/mol
Monoisotopic Mass:
184.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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