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7-Hydroxy-2-naphthonitrile

CAT: 0127-OR77770-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR77770-01Size:100 mg
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CAS Number
130200-58-7
MDL Number
MFCD09030752
Purity
98%
Smiles
N#CC1=CC=C2C=CC(O)=CC2=C1

Chemical Information

7-Hydroxynaphthalene-2-carbonitrile
CAS Number130200-58-7
PubChem CID22243621
IUPAC Name7-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=CC(=CC2=C1C=CC(=C2)O)C#N
InChI
InChI=1S/C11H7NO/c12-7-8-1-2-9-3-4-11(13)6-10(9)5-8/h1-6,13H
InChIKey
NFBPHZSDBOVNAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Hydroxynaphthalene-2-carbonitrile
CAS: 130200-58-7
CID: 22243621
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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