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1-Naphthyl(methoxy) Propanedinitrile

CAT: 0572-TRC-N378650-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N378650-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
221242-71-3
Hazard Statement
No Data Available
Smiles
COC(=C(C#N)C#N)c1cccc2ccccc12
Molecular Formula
C15 H10 N2 O
Molecular Weight
234.25
InChI
InChI=1S/C15H10N2O/c1-18-15(12(9-16)10-17)14-8-4-6-11-5-2-3-7-13(11)14/h2-8H,1H3
Additionnal Information
IUPAC name: 2-[methoxy(naphthalen-1-yl)methylidene]propanedinitrile
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-(Methoxy(naphthalen-1-yl)methylidene)propanedinitrile
CAS Number221242-71-3
PubChem CID5046243
IUPAC Name2-[methoxy(naphthalen-1-yl)methylidene]propanedinitrile
Molecular FormulaC15H10N2O
Molecular Weight234.25
XLogP3
Topological Polar Surface Area56.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity416
SMILES
COC(=C(C#N)C#N)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C15H10N2O/c1-18-15(12(9-16)10-17)14-8-4-6-11-5-2-3-7-13(11)14/h2-8H,1H3
InChIKey
XQWRQOZYYLGZMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Methoxy(naphthalen-1-yl)methylidene)propanedinitrile
CAS: 221242-71-3
CID: 5046243
Formula: C15H10N2O
MW: 234.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.25
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass234.079312947
Monoisotopic Mass234.079312947
Topological Polar Surface Area56.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity416
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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