Dimethyl 2,3-naphthalenedicarboxylate

C₁₄H₁₂O₄CAS 13728-34-2244.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₂O₄
Molar mass: 244.25 g/mol
Exact mass: 244.0736 Da
logP: 2.41Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

13728-34-2

SMILES

COC(=O)C1=CC2=CC=CC=C2C=C1C(=O)OC

InChIKey

MPDGBCOIHNLQMR-UHFFFAOYSA-N

InChI

InChI=1S/C14H12O4/c1-17-13(15)11-7-9-5-3-4-6-10(9)8-12(11)14(16)18-2/h3-8H,1-2H3

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Names and synonyms

1 names

2,3-Naphthalenedicarboxylic acid dimethyl ester

Work with Dimethyl 2,3-naphthalenedicarboxylate

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

Methyl 3-hydroxy-2-naphthoate883-99-874 % similar Dimethyl phthalate131-11-369 % similar Tetramethyl pyromellitate635-10-968 % similar 2,3-Naphthalenedicarboxylic anhydride716-39-267 % similar Methyl 2-naphthoate2459-25-865 % similar Dimethyl Quinoline-2,3-dicarboxylate17507-03-863 % similar Methyl 2-chlorobenzoate610-96-861 % similar Methyl 3-isoquinolinecarboxylate27104-73-059 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Piceatannol10083-24-6 Dioxybenzone131-53-3 4-(5-Formyl-2-furanyl)benzoic acid ethyl ester19247-87-1 2,6-Naphthalenediol diacetate22426-47-7 Oxyresveratrol29700-22-9 2,6-Dimethyl 2,6-naphthalenedicarboxylate840-65-3

Elsewhere

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