chempirical

2,6-Dimethyl 2,6-naphthalenedicarboxylate

C14H12O4CAS 840-65-3244.25 g/mol

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Ester

Properties

Molecular formula
C14H12O4
Molar mass
244.25 g/mol
Exact mass
244.0736 Da
Melting point
181–183.5 °C
Boiling point
265–270 °C (at 100 Torr)
logP
2.41Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Not classified as hazardous under GHS by 99 ECHA notifiers. Aggregated from 99 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
840-65-3
SMILES
COC(=O)c1ccc2cc(C(=O)OC)ccc2c1
InChIKey
GYUVMLBYMPKZAZ-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O4/c1-17-13(15)11-5-3-10-8-12(14(16)18-2)6-4-9(10)7-11/h3-8H,1-2H3

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Names and synonyms

9 names
  • 2,6-Naphthalenedicarboxylic acid, 2,6-dimethyl ester
  • 2,6-Naphthalenedicarboxylic acid, dimethyl ester
  • Dimethyl 2,6-naphthalenedicarboxylate
  • 2,6-Dicarbomethoxynaphthalene
  • Dimethyl 2,6-naphthalate
  • 2,6-Naphthalic acid dimethyl ester
  • NSC 59387
  • 2,6-Dimethyl naphthalene-2,6-dicarboxylate
  • Dimethyl-2,6-naphthalenedicarboxylate

Work with 2,6-Dimethyl 2,6-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 2-naphthoate2459-25-885 % similar Methyl 6-bromonaphthalene-2-carboxylate33626-98-177 % similar Dimethyl terephthalate120-61-671 % similar Dimethyl isophthalate1459-93-467 % similar Trimethyl trimellitate2459-10-166 % similar Trimethyl benzene-1,3,5-tricarboxylate2672-58-464 % similar Methyl indole-5-carboxylate1011-65-064 % similar Methyl indole-6-carboxylate50820-65-064 % similar

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

Same formula

Piceatannol10083-24-6 Dioxybenzone131-53-3 Dimethyl 2,3-naphthalenedicarboxylate13728-34-2 4-(5-Formyl-2-furanyl)benzoic acid ethyl ester19247-87-1 2,6-Naphthalenediol diacetate22426-47-7 trans-2,3',4,5'-Tetrahydroxystilbene29700-22-9

Elsewhere

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