6-Methoxynaphthalene-2-carbonitrile

C₁₂H₉NOCAS 67886-70-8183.21 g/mol

Open in Covalent MOL file

Ether Nitrile

Properties

Molecular formula: C₁₂H₉NO
Molar mass: 183.21 g/mol
Exact mass: 183.0684 Da
logP: 2.72Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

67886-70-8

SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C#N

InChIKey

SWEFYGCKCMJSPD-UHFFFAOYSA-N

InChI

InChI=1S/C12H9NO/c1-14-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h2-7H,1H3

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Names and synonyms

1 names

2-Cyano-6-methoxynaphthalene

Work with 6-Methoxynaphthalene-2-carbonitrile

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

4-Methoxybenzonitrile874-90-866 % similar 2,6-Dimethoxynaphthalene5486-55-563 % similar 3-Methoxybenzonitrile1527-89-563 % similar β-Naphthol methyl ether93-04-960 % similar 2-Naphthalenecarbonitrile613-46-757 % similar 3,4-Dimethoxybenzonitrile2024-83-156 % similar 2,7-Dimethoxynaphthalene3469-26-955 % similar 3,5-Dimethoxybenzonitrile19179-31-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Pyridin-3-yl)benzaldehyde127406-55-7 4-(2-Pyridinyl)benzaldehyde127406-56-8 3-(3-Pyridyl)benzaldehyde131231-24-8 Phenoxazine135-67-1 4-Benzoylpyridine14548-46-0 2-(4-Pyridinyl)benzaldehyde176526-00-4 2-Methylnaphth[2,3-d]oxazole20686-66-2 3-(Pyridin-4-yl)benzaldehyde208190-04-9

Elsewhere

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