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4-Pentyloxyphthalonitrile

Catalog Number
ACM106943833-1
Product Name
4-Pentyloxyphthalonitrile
Structure
CAS
106943-83-3
Category
Phthalonitriles & Naphthalonitriles
IUPAC Name
4-pentoxybenzene-1,2-dicarbonitrile
Molecular Weight
214.26g/mol
Molecular Formula
C13H14N2O
SMILES
CCCCCOC1=CC(=C(C=C1)C#N)C#N
InChI
InChI=1S/C13H14N2O/c1-2-3-4-7-16-13-6-5-11(9-14)12(8-13)10-15/h5-6,8H,2-4,7H2,1H3
InChIKey
LEYRHJFOAFEIDH-UHFFFAOYSA-N
Status
0
Complexity
296
Formal Charge
0
Exact Mass
214.110613g/mol
Monoisotopic Mass
214.110613g/mol
XLogP3
3.1
Covalently-Bonded Unit Count
1
Heavy Atom Count
16
Rotatable Bond Count
5
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