2,6-Naphthalenediol diacetate

C₁₄H₁₂O₄CAS 22426-47-7244.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₂O₄
Molar mass: 244.25 g/mol
Exact mass: 244.0736 Da
logP: 2.69Crippen 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

22426-47-7

SMILES

CC(=O)OC1=CC2=C(C=C1)C=C(C=C2)OC(=O)C

InChIKey

JTUIDPCUTRXCPW-UHFFFAOYSA-N

InChI

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

Weigh it out

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Names and synonyms

1 names

2,6-Diacetoxynaphthalene

Work with 2,6-Naphthalenediol diacetate

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

2-Naphthyl acetate1523-11-185 % similar 1,4-Diacetoxybenzene1205-91-071 % similar 6-(Acetyloxy)-2-naphthalenecarboxylic acid17295-26-070 % similar 1,3-Dihydroxybenzene diacetate108-58-767 % similar 1,2,4-Triacetoxybenzene613-03-666 % similar 4,4'-Diacetoxybiphenyl32604-29-863 % similar 2,5-Diacetoxytoluene717-27-159 % similar 4-Methylphenyl acetate140-39-659 % 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 Oxyresveratrol29700-22-9 2,6-Dimethyl 2,6-naphthalenedicarboxylate840-65-3

Elsewhere

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