6-Hydroxy-2-naphthaldehyde

C₁₁H₈O₂CAS 78119-82-1172.18 g/mol

Open in Covalent MOL file

Aldehyde Phenol

Properties

Molecular formula: C₁₁H₈O₂
Molar mass: 172.18 g/mol
Exact mass: 172.0524 Da
logP: 2.36Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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

78119-82-1

SMILES

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

InChIKey

PRYNJOJHKYNLIS-UHFFFAOYSA-N

InChI

InChI=1S/C11H8O2/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-7,13H

Weigh it out

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

Work with 6-Hydroxy-2-naphthaldehyde

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-Hydroxybenzaldehyde123-08-062 % similar 2-Naphthalenecarboxaldehyde66-99-961 % similar 3-Hydroxybenzaldehyde100-83-459 % similar 2,6-Dihydroxynaphthalene581-43-158 % similar 2-Naphthol135-19-350 % similar Protocatechuic aldehyde139-85-550 % similar 3,5-Dihydroxybenzaldehyde26153-38-850 % similar 6-Methoxy-2-naphthaldehyde3453-33-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Phenyl-2-furaldehyde13803-39-9 Menadione58-27-5 2-Hydroxy-1-naphthaldehyde708-06-5 4-Hydroxy-1-naphthaldehyde7770-45-8 1-Naphthoic acid86-55-5 2-Naphthoic acid93-09-4

Elsewhere

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