Indoxyl acetate

C10H9NO2CAS 608-08-2175.19 g/mol

Open in Covalent MOL file
OONH
Ester

Properties

Molecular formula
C10H9NO2
Molar mass
175.19 g/mol
Exact mass
175.0633 Da
Melting point
129 °C
logP
2.09Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
608-08-2
SMILES
CC(=O)Oc1c[nH]c2ccccc12
InChIKey
JBOPQACSHPPKEP-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO2/c1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h2-6,11H,1H3

Weigh it out

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

Names and synonyms

9 names
  • 1H-Indol-3-ol, 3-acetate
  • Indol-3-ol, acetate (ester)
  • 1H-Indol-3-ol, acetate (ester)
  • Indol-3-ol, acetate
  • 3-Acetoxyindole
  • 3-Indoxyl acetate
  • 3-Indolyl acetate
  • NSC 13964
  • 1H-Indol-3-yl acetate

Work with Indoxyl acetate

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

4-Acetoxyindole5585-96-665 % similar 5-Bromindoxyl acetate17357-14-163 % similar 1-Naphthyl acetate830-81-954 % similar 3-Acetylindole703-80-050 % similar 1-Benzofuran-3-yl acetate93680-80-950 % similar 2-Methoxyphenyl acetate15212-03-049 % similar 2-Methylphenyl acetate533-18-649 % similar 5-Bromo-4-chloro-3-indolyl acetate3252-36-648 % 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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