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4-Propoxyphthalonitrile

Catalog Number
ACM106144187-1
CAS Number
106144-18-7
Product Name
4-Propoxyphthalonitrile
Structure
Category
Phthalonitriles & Naphthalonitriles; Phthalocyanine Building Blocks
IUPAC Name
4-propoxybenzene-1,2-dicarbonitrile
Molecular Weight
186.21g/mol
Molecular Formula
C11H10N2O
Canonical SMILES
CCCOC1=CC(=C(C=C1)C#N)C#N
InChI
InChI=1S/C11H10N2O/c1-2-5-14-11-4-3-9(7-12)10(6-11)8-13/h3-4,6H,2,5H2,1H3
InChI Key
RDLZRCSOLOTEPK-UHFFFAOYSA-N
Complexity
270
Covalently-Bonded Unit Count
1
Exact Mass
186.079313g/mol
Formal Charge
0
Heavy Atom Count
14
Monoisotopic Mass
186.079313g/mol
Rotatable Bond Count
3
XLogP3
2.2
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