Structure

Atractylodinol

CAS
61642-89-5
Catalog Number
ACM61642895
Category
Other Products
Molecular Weight
198.22
Molecular Formula
C13H10O2

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Specification

Synonyms
Atractylodinol;(2E,8E)-9-(2-Furanyl)-2,8-nonadiene-4,6-diyn-1-ol;(2E,8E)-9-(2-Furyl)-2,8-nonadiene-4,6-diyne-1-ol;9'-Hydroxyatractylodin
IUPAC Name
(2E,8E)-9-(furan-2-yl)nona-2,8-dien-4,6-diyn-1-ol
Canonical SMILES
C1=COC(=C1)C=CC#CC#CC=CCO
InChI Key
JPWHLNBWBPJJJN-PDTNFJSOSA-N
Boiling Point
386.294ºC at 760 mmHg
Flash Point
187.424ºC
Density
1.166g/cm³
Exact Mass
198.06800
H-Bond Acceptor
2
H-Bond Donor
1
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