Chemical Properties of Indoxylbutyrate

Indoxylbutyrate

InChI
InChI=1S/C12H13NO2/c1-2-5-12(14)15-11-8-13-10-7-4-3-6-9(10)11/h3-4,6-8,13H,2,5H2,1H3
InChI Key
DPUSLOQBAPOARC-UHFFFAOYSA-N
Formula
C12H13NO2
SMILES
CCCC(=O)Oc1c[nH]c2ccccc12
Molecular Weight1
203.24
Other Names
  • indol-3-yl butyrate
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Physical Properties

Property Value Unit Source
IE 7.55 eV Relay (1.0) Calculated Property
log10WS -3.51 Relay (1.0) Calculated Property
logPoct/wat 2.391 Crippen Calculated Property
McVol 158.440 ml/mol McGowan Calculated Property
Tboil 580.48 K Relay (1.0) Calculated Property
Tfus 350.90 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

5-Bromoindoxyl-3-acetate. 2-Propanol, 1-(1H-indol-4-yloxy)-3-[(1-methylethyl)amino]-. Pindolol, N-ethoxycarbonylated, TMS. Dosulepin-M (nor-HO-) 2AC. Pindolol tbdms. Carazolol, acetylated. Tetrazepam M (hydroxy-), isomer 2, hydrolysis, acetylated. trans-2,3-Tetralinediol, ferrocenylboronate. 10-Methoxy-14-methyl-5-oxo-5,7,8,14-tetrahydro-indolo-[2,3-c]-quinazo-[3,2,a]-pyridine. Adenosine, 2'-deoxy-N-(trimethylsilyl)-3'-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. N6-TMS-2'-Deoxyadenosine, 3'-O-TMS, 5'-O-TBDMS. N6-TMS-2'-Deoxyadenosine, 3'-O-TBDMS, 5'-OTMS. N6-TMS-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. 2'-Deoxyadenosine, 3',5',N6-tris(O-TBDMSi). 5-Methoxytryptophan, ethoxycarbonylated, TBDMS.

Find more compounds similar to Indoxylbutyrate.

Sources

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