chempirical

4-Acetoxyindole

C10H9NO2CAS 5585-96-6175.19 g/mol

Open in Covalent MOL file
OONH
Ester

Properties

Molecular formula
C10H9NO2
Molar mass
175.19 g/mol
Exact mass
175.0633 Da
logP
2.09Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

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
5585-96-6
SMILES
CC(=O)OC1=CC=CC2=C1C=CN2
InChIKey
ZXDMUHFTJWEDEF-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO2/c1-7(12)13-10-4-2-3-9-8(10)5-6-11-9/h2-6,11H,1H3

Weigh it out

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Work with 4-Acetoxyindole

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

Indoxyl acetate608-08-265 % similar 1-Naphthyl acetate830-81-957 % similar 4-Methoxy-1H-indole4837-90-556 % similar Pyrogallol triacetate525-52-054 % similar 2-Chlorophenyl acetate4525-75-150 % similar Methyl 1H-indole-4-carboxylate39830-66-548 % similar 2-Methoxyphenyl acetate15212-03-047 % similar 2-Methylphenyl acetate533-18-647 % similar

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

Same formula

Methyl indole-5-carboxylate1011-65-0 5-Methylindole-2-carboxylic acid10241-97-1 Methyl 4-cyano-2-methylbenzoate103261-67-2 5-Methoxyindole-3-carbaldehyde10601-19-1 Methyl 1H-indole-2-carboxylate1202-04-6 1-Methyl-1H-indole-2-carboxylic acid16136-58-6 2,3,4,5-Tetrahydro-1H-1-benzazepine-2,5-dione16511-38-9 4-Hydroxy-1-methyl-2(1H)-quinolinone1677-46-9

Elsewhere

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