Chemical Properties of Chalepensin (CAS 13164-03-9)

Chalepensin

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InChI
InChI=1S/C16H14O3/c1-4-16(2,3)12-8-11-7-10-5-6-18-13(10)9-14(11)19-15(12)17/h4-9H,1H2,2-3H3
InChI Key
FYCCCUNGXGKNJV-UHFFFAOYSA-N
Formula
C16H14O3
SMILES
C=CC(C)(C)c1cc2cc3ccoc3cc2oc1=O
Molecular Weight1
254.28
CAS
13164-03-9
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Physical Properties

Property Value Unit Source
log10WS -13.56 Crippen Calculated Property
logPoct/wat 4.003 Crippen Calculated Property
McVol 191.230 ml/mol McGowan Calculated Property
Inp [2205.60; 2205.60]   Show Hide
Inp 2205.60 NIST
Inp 2205.60 NIST

Similar Compounds

3-(1,1-Dimethylallyl)-6-hydroxycoumarin. 2H-1-Benzopyran-2-one, 3-(1,1-dimethyl-2-propenyl)-7-hydroxy-6-methoxy-. Chalepin. Rutamarin. Methoxyoestrone (enol)-TMS. Edulisin III. Cytidine, methyl-TMS derivative. Mirtazapine-M (nor-HO-methoxy-) 2AC. Mirtazapine-M (HO-) AC. Mirtazapine-M (nor-HO-) 2AC. 11-Dehydroestradiol, TMS. L-Alanine, N-[N-[N-[N-(1-oxodecyl)glycyl]-L-tryptophyl]-L-alanyl]-, methyl ester. 17A-11-Dehydroestradiol, TMS. (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. Oxymorphone.

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Sources

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