4-Acetyl-1-naphthalenecarboxylic acid

C₁₃H₁₀O₃CAS 131986-05-5214.22 g/mol

Open in Covalent MOL file

Carboxylic acid Ketone

Properties

Molecular formula: C₁₃H₁₀O₃
Molar mass: 214.22 g/mol
Exact mass: 214.0630 Da
Melting point: 184 °C
logP: 2.74Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

131986-05-5

SMILES

CC(=O)c1ccc(C(=O)O)c2ccccc12

InChIKey

DOCFRBZXXQJPBD-UHFFFAOYSA-N

InChI

InChI=1S/C13H10O3/c1-8(14)9-6-7-12(13(15)16)11-5-3-2-4-10(9)11/h2-7H,1H3,(H,15,16)

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

Names and synonyms

1 names

1-Naphthalenecarboxylic acid, 4-acetyl-

Work with 4-Acetyl-1-naphthalenecarboxylic acid

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

1,4-Naphthalenedicarboxylic acid605-70-974 % similar 2-Acetylbenzoic acid577-56-070 % similar 4-Chloronaphthalene-1-carboxylic acid1013-04-359 % similar 4-Fluoro-1-naphthoic acid573-03-559 % similar 4-Methoxy-1-naphthalenecarboxylic acid13041-62-858 % similar 1-Naphthoic acid86-55-555 % similar 1-Acetylnaphthalene941-98-055 % similar 1,2-Diacetylbenzene704-00-752 % similar

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

Same formula

Diphenyl carbonate102-09-0 3,4-Dihydroxybenzophenone10425-11-3 Phenyl salicylate118-55-8 2,4-Dihydroxybenzophenone131-56-6 3-Hydroxyphenyl benzoate136-36-7 Phenyl 4-hydroxybenzoate17696-62-7 4-Phenoxybenzoic acid2215-77-2 2-Phenoxybenzoic acid2243-42-7

Elsewhere

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