Chemical Properties of Jaconine (CAS 480-75-1)

Jaconine

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InChI
InChI=1S/C18H26ClNO6/c1-10-8-18(24,11(2)19)16(22)26-13-5-7-20-6-4-12(14(13)20)9-25-15(21)17(10,3)23/h4,10-11,13-14,23-24H,5-9H2,1-3H3
InChI Key
CKPJPJSVQMEGBC-UHFFFAOYSA-N
Formula
C18H26ClNO6
SMILES
CC1CC(O)(C(C)Cl)C(=O)OC2CCN3CC=C(COC(=O)C1(C)O)C23
Molecular Weight1
387.86
CAS
480-75-1
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Physical Properties

Property Value Unit Source
log10WS -2.19 Crippen Calculated Property
logPoct/wat 0.605 Crippen Calculated Property
McVol 276.440 ml/mol McGowan Calculated Property
Inp [2520.00; 2584.00]   Show Hide
Inp 2548.00 NIST
Inp 2520.00 NIST
Inp 2527.00 NIST
Inp 2573.00 NIST
Inp 2584.00 NIST

Similar Compounds

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Sources

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