Chemical Properties of 2,4-Pentanedione, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)- (CAS 21402-79-9)

2,4-Pentanedione, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)-

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InChI
InChI=1S/C17H18O6/c1-7(18)5-11(20)6-12-8(2)13-15(21)9(3)16(22)14(10(4)19)17(13)23-12/h21-22H,5-6H2,1-4H3
InChI Key
BLYIQXWINBIBSV-UHFFFAOYSA-N
Formula
C17H18O6
SMILES
CC(=O)CC(=O)Cc1oc2c(C(C)=O)c(O)c(C)c(O)c2c1C
Molecular Weight1
318.32
CAS
21402-79-9
Other Names
  • Decarbousnic acid
  • 1-(7-Acetyl-4,6-dihydroxy-3,5-dimethylbenzofuran-2-yl)pentane-2,4-dione
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Physical Properties

Property Value Unit Source
log10WS -8.34 Crippen Calculated Property
logPoct/wat 2.754 Crippen Calculated Property
McVol 233.790 ml/mol McGowan Calculated Property
Inp [2679.10; 2679.10]   Show Hide
Inp 2679.10 NIST
Inp 2679.10 NIST

Similar Compounds

Mirtazapine-M (nor-HO-methoxy-) 2AC. Mirtazapine-M (nor-HO-) 2AC. Mirtazapine-M (HO-) AC. Bicyclohexyl-1,1'-diol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. N-Desmethylmirtazapine. ethyl eburnamenine-14-carboxylate. Mirtazapine. Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl. Etorphine. Galantamin.

Find more compounds similar to 2,4-Pentanedione, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)-.

Sources

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