2,3-Naphthalenedicarboxaldehyde

C₁₂H₈O₂CAS 7149-49-7184.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₈O₂
Molar mass: 184.19 g/mol
Exact mass: 184.0524 Da
logP: 2.46Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 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

7149-49-7

SMILES

C1=CC=C2C=C(C(=CC2=C1)C=O)C=O

InChIKey

ZIPLKLQPLOWLTM-UHFFFAOYSA-N

InChI

InChI=1S/C12H8O2/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14/h1-8H

Weigh it out

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

Names and synonyms

1 names

Naphthalene-2,3-dicarboxaldehyde

Work with 2,3-Naphthalenedicarboxaldehyde

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

9-Phenanthrenecarboxaldehyde4707-71-564 % similar Phthalaldehyde643-79-860 % similar 1-Naphthalenecarboxaldehyde66-77-356 % similar 2-Naphthalenecarboxaldehyde66-99-956 % similar (1,1'-Biphenyl)-2,2'-dicarboxaldehyde1210-05-552 % similar 2-Chlorobenzaldehyde89-98-552 % similar 2-Chloro-3-quinolinecarboxaldehyde73568-25-952 % similar Anthracene-9-carbaldehyde642-31-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Dibenzofuranol33483-06-6 2-Dibenzofuranol86-77-1

Elsewhere

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