Chemical Properties of Etodolac, methylated

Etodolac, methylated

InChI
InChI=1S/C18H23NO3/c1-4-12-7-6-8-13-14-9-10-22-18(5-2,11-15(20)21-3)17(14)19-16(12)13/h6-8,19H,4-5,9-11H2,1-3H3
InChI Key
CRRWJZHQYUTACF-UHFFFAOYSA-N
Formula
C18H23NO3
SMILES
CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)OC)OCC3
Molecular Weight1
301.38
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Physical Properties

Property Value Unit Source
ω 0.7300 Relay (1.0) Calculated Property
ΔfG° -72.52 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -498.98 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 114.29 kJ/mol Relay (1.0) Calculated Property
IE 7.41 eV Relay (1.0) Calculated Property
log10WS -3.56 Relay (1.0) Calculated Property
logPoct/wat 2.990 Crippen Calculated Property
McVol 237.990 ml/mol McGowan Calculated Property
Pc 1633.25 kPa Relay (1.0-beta) Calculated Property
Inp 2225.00 NIST
Tboil 652.67 K Relay (1.0) Calculated Property
Tc 936.39 K Relay (1.0) Calculated Property
Tfus 383.16 K Relay (1.0) Calculated Property
Vc 0.869 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Nicodicodine. Norcodeine. 3-O,6-O,N-Triacetylnormorphine. Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5«alpha»,6«alpha»)-. 3-propionyl-morphine. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Benzylmorphine. 6-O,N-Diacetylnorcodeine. N6-(cyclotetramethylene-tertbutylsilyl)-Adenosine, 2',3',5'-tris-O-TBDMS. Brucine. TCN. Ergotamine. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Dihydroergokryptine. Nicocodine.

Find more compounds similar to Etodolac, methylated.

Sources

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