6-Hydroxy-2-naphthonitrile

C₁₁H₇NOCAS 52927-22-7169.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₇NO
Molar mass: 169.18 g/mol
Exact mass: 169.0528 Da
logP: 2.42Crippen estimate
Polar surface area: 44.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

52927-22-7

SMILES

C1=CC2=C(C=CC(=C2)O)C=C1C#N

InChIKey

WKTNIBWKHNIPQR-UHFFFAOYSA-N

InChI

InChI=1S/C11H7NO/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-6,13H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

6-Cyano-2-naphthol

Work with 6-Hydroxy-2-naphthonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Naphthalenecarbonitrile613-46-765 % similar 4-Cyanophenol767-00-064 % similar 2,6-Dihydroxynaphthalene581-43-161 % similar 2-Naphthol135-19-358 % similar 4′-Cyano-4-hydroxybiphenyl19812-93-257 % similar 3-Cyanophenol873-62-157 % similar 2,7-Naphthalenediol582-17-252 % similar 3,5-Dihydroxybenzonitrile19179-36-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benz(cd)indol-2(1H)-one130-00-7 2-Naphthyl isocyanate2243-54-1 1-Naphthyl isocyanate86-84-0

Elsewhere

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