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Chemical Properties of 5-BENZYLOXYINDOLE-2-CARBOXYLIC ACID

5-BENZYLOXYINDOLE-2-CARBOXYLIC ACID

InChI
InChI=1S/C16H13NO3/c18-16(19)15-9-12-8-13(6-7-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,18,19)
InChI Key
MVCLSAMNMAWXFQ-UHFFFAOYSA-N
Formula
C16H13NO3
SMILES
O=C(O)c1cc2cc(OCc3ccccc3)ccc2[nH]1
Molecular Weight1
267.28
Other Names
  • 1H-Indole-2-carboxylic acid, 5-(phenylmethoxy)-
  • 5-(phenylmethoxy)-1H-indole-2-carboxylic acid
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Physical Properties

Property Value Unit Source
IE 7.72 eV Relay (1.0) Calculated Property
logPoct/wat 2.963 Crippen Calculated Property
McVol 196.910 ml/mol McGowan Calculated Property
Tboil 691.17 K Relay (1.0) Calculated Property
Tfus 506.13 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, Log10 of Water solubility in mol/l 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

Ethyl 5-benzyloxyindole-2-carboxylate. 5-Methoxyindole-2-carboxylic acid. Ethyl 5,6-dimethoxyindole-2-carboxylate. Silane, [(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1,7-diyl)bis(oxy)]bis[trimethyl-, [6aR-(6a«alpha»,7«alpha»,10a«beta»)]-. Rhodoporphyrin-XV homologue, bis(trimethylsiloxy)silicon(IV) derivative. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. Ibogaine. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. norbormide. Yohimbine. N6-(cyclotetramethylene-tertbutylsilyl)-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. 6-Tetrahydrocannabinol, 7-hydroxy, TBDMS. Benzofuran-5-propanol, 2,3-dihydro-3-hydroxymethyl-7-methoxy-2-(4-hydroxy-3-methoxyphenyl), tris-TMS.

Find more compounds similar to 5-BENZYLOXYINDOLE-2-CARBOXYLIC ACID.

Sources

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