Chemical Properties of 5-Benzyloxyindole-2-carboxylic acid (CAS 6640-09-1)

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
CAS
6640-09-1
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
ω 0.8928 Relay (1.0) Calculated Property
ΔfG° -48.47 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -249.55 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 139.55 kJ/mol Relay (1.0) Calculated Property
IE 7.72 eV Relay (1.0) Calculated Property
log10WS -3.97 Relay (1.0) Calculated Property
logPoct/wat 2.963 Crippen Calculated Property
McVol 196.910 ml/mol McGowan Calculated Property
Pc 3232.85 kPa Relay (1.0-beta) Calculated Property
Tboil 691.17 K Relay (1.0) Calculated Property
Tc 1048.47 K Relay (1.0) Calculated Property
Tfus 506.13 K Relay (1.0) Calculated Property
Vc 0.722 m3/kmol Relay (1.0) Calculated Property

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. (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. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. norbormide. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Yohimbine. N6-(cyclotetramethylene-tertbutylsilyl)-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. Ibogaine. 6-Tetrahydrocannabinol, 7-hydroxy, TBDMS. Quebrachamine.

Find more compounds similar to 5-Benzyloxyindole-2-carboxylic acid.

Sources

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