Atractylodin

Catalog	ACM55290636
CAS	55290-63-6
Structure
Synonyms	(1E,7E)-1-(2-Furyl)-1,7-nonadiene-3,5-diyne
IUPAC Name	2-[(1E,7E)-Nona-1,7-dien-3,5-diynyl]furan
Molecular Weight	182.22
Molecular Formula	C13H10O
Canonical SMILES	CC=CC#CC#CC=CC1=CC=CO1
InChI	InChI=1S/C13H10O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h2-3,8-12H,1H3/b3-2+,10-8+
InChI Key	GRBKWAXRYIITKG-QFMFQGICSA-N
Boiling Point	305.5±34.0 °C
Melting Point	52 °C
Purity	95%
Density	1.056±0.06 g/cm³
Appearance	Brown powder
Exact Mass	182.073164938
Isomeric SMILES	C/C=C/C#CC#C/C=C/C1=CC=CO1
Monoisotopic Mass	182.073164938
Physical State	Solid
Storage Conditions	2-8 °C
Topological Polar Surface Area	13.1 Ų