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164410-70-2 | Propanedinitrile, 2-hexylidene-
CAS No: 164410-70-2 Catalog No: AG001UVI MDL No:
Product Description
Catalog Number:
AG001UVI
Chemical Name:
Propanedinitrile, 2-hexylidene-
CAS Number:
164410-70-2
Molecular Formula:
C9H12N2
Molecular Weight:
148.2050
IUPAC Name:
2-hexylidenepropanedinitrile
InChI:
InChI=1S/C9H12N2/c1-2-3-4-5-6-9(7-10)8-11/h6H,2-5H2,1H3
InChI Key:
GCBPGFSHSNTUMO-UHFFFAOYSA-N
SMILES:
CCCCCC=C(C#N)C#N
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.209g/mol
Monoisotopic Mass:
148.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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