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6-Cyano-2-naphthol

CAT: 0572-TRC-C981980-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C981980-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
52927-22-7
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
Oc1ccc2cc(ccc2c1)C#N
Molecular Formula
C11 H7 N O
Molecular Weight
169.18
InChI
InChI=1S/C11H7NO/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-6,13H
Additionnal Information
IUPAC name: 6-hydroxynaphthalene-2-carbonitrile
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

6-Hydroxy-2-naphthonitrile
CAS Number52927-22-7
PubChem CID4589476
IUPAC Name6-hydroxynaphthalene-2-carbonitrile
Molecular FormulaC11H7NO
Molecular Weight169.18
XLogP2.4
Topological Polar Surface Area44
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity229
SMILES
C1=CC2=C(C=CC(=C2)O)C=C1C#N
InChI
InChI=1S/C11H7NO/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-6,13H
InChIKey
WKTNIBWKHNIPQR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Hydroxy-2-naphthonitrile
CAS: 52927-22-7
CID: 4589476
Formula: C11H7NO
MW: 169.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.18
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass169.052763847
Monoisotopic Mass169.052763847
Topological Polar Surface Area44 Ų
Heavy Atom Count13
Formal Charge0
Complexity229
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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