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19307-13-2 molecular structure
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7-hydroxynaphthalene-1-carbonitrile

ChemBase ID: 78920
Molecular Formular: C11H7NO
Molecular Mass: 169.17938
Monoisotopic Mass: 169.05276385
SMILES and InChIs

SMILES:
N#Cc1cccc2ccc(cc12)O
Canonical SMILES:
N#Cc1cccc2c1cc(O)cc2
InChI:
InChI=1S/C11H7NO/c12-7-9-3-1-2-8-4-5-10(13)6-11(8)9/h1-6,13H
InChIKey:
UDGWTXRLMHXQKB-UHFFFAOYSA-N

Cite this record

CBID:78920 http://www.chembase.cn/molecule-78920.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-hydroxynaphthalene-1-carbonitrile
IUPAC Traditional name
7-hydroxynaphthalene-1-carbonitrile
Synonyms
7-Hydroxynaphthalene-1-carbonitrile
CAS Number
19307-13-2
MDL Number
MFCD03695467
PubChem SID
162043683
PubChem CID
22048162

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 22048162 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polarizability 20.3225 Å3 Polar Surface Area 44.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 8.545827  H Acceptors
H Donor LogD (pH = 5.5) 2.5148652 
LogD (pH = 7.4) 2.4854586  Log P 2.5152535 
Molar Refractivity 50.2107 cm3

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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