Chemical Properties of 2-[5-methoxy-2-methyl-1-(3-phenylprop-2-enoyl)indol-3-yl]acetic acid

2-[5-methoxy-2-methyl-1-(3-phenylprop-2-enoyl)indol-3-yl]acetic acid

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InChI
InChI=1S/C21H19NO4/c1-14-17(13-21(24)25)18-12-16(26-2)9-10-19(18)22(14)20(23)11-8-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,24,25)
InChI Key
NKPPORKKCMYYTO-UHFFFAOYSA-N
Formula
C21H19NO4
SMILES
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)C=Cc1ccccc1
Molecular Weight1
349.39
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Physical Properties

Property Value Unit Source
ω 0.9960 Relay (... Calculated Property
ΔfG° -53.21 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -396.68 kJ/mol Relay (... Calculated Property
ΔvapH° 141.38 kJ/mol Relay (... Calculated Property
IE 7.63 eV Relay (... Calculated Property
log10WS -5.54 Aq. Sol...
logPoct/wat 3.939 Crippen Calculated Property
McVol 264.630 ml/mol McGowan Calculated Property
Pc 1685.95 kPa Relay (... Calculated Property ⚠️
Tboil 732.09 K Relay (... Calculated Property
Tc 1073.85 K Relay (... Calculated Property
Tfus 450.27 K Relay (... Calculated Property
Vc 0.925 m3/kmol Relay (... Calculated Property

Similar Compounds

Nalmefene. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to 2-[5-methoxy-2-methyl-1-(3-phenylprop-2-enoyl)indol-3-yl]acetic acid.

Sources

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