7E-Mycosinyl acetate

Base Information

• Chemical Name: 7E-Mycosinyl acetate
• CAS No.: 17089-08-6
• Molecular Formula: C15H12 O4
• Molecular Weight: 256.2534
• NSC Number: 626608,302308
• DSSTox Substance ID: DTXSID10420018
• Nikkaji Number: J403.239J
• Metabolomics Workbench ID: 46270
• Mol file: 17089-08-6.mol

Synonyms:7E-Mycosinyl acetate;BOHLMANN K4097;NSC302308;NSC626608;17089-08-6;Acetylmycosinol;SCHEMBL18539451;DTXSID10420018;CHEBI:174361;NSC-302308;NSC-626608;[(2E)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]nona-3,7-dien-9-yl] acetate;(7E)-7-(HEXA-2,4-DIYN-1-YLIDENE)-1,6-DIOXASPIRO[4.4]NONA-2,8-DIEN-4-YL ACETATE

Chemical Property of 7E-Mycosinyl acetate

Chemical Property:

• Vapor Pressure: 2.94E-07mmHg at 25°C
• Boiling Point: 419.9°Cat760mmHg
• Flash Point: 188°C
• Density: 1.27g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 256.07355886
• Heavy Atom Count: 19
• Complexity: 612

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC#CC#CC=C1C=CC2(O1)C(C=CO2)OC(=O)C
• Isomeric SMILES: CC#CC#C/C=C/1\C=CC2(O1)C(C=CO2)OC(=O)C

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