2H-pyran-2-one, 6-(8-(3-chloro-1H-pyrrol-2-yl)-1-methyl-1,3,5,7-octatetraenyl)-4-methoxy-3-methyl-, (Z,E,E,E)-

Base Information

• Chemical Name: 2H-pyran-2-one, 6-(8-(3-chloro-1H-pyrrol-2-yl)-1-methyl-1,3,5,7-octatetraenyl)-4-methoxy-3-methyl-, (Z,E,E,E)-
• CAS No.: 148528-19-2
• Molecular Formula: C20H20 Cl N O3
• Molecular Weight: 357.8307
• Nikkaji Number: J2.289.948A
• Wikidata: Q76389264
• Metabolomics Workbench ID: 133918
• ChEMBL ID: CHEMBL426025
• Mol file: 148528-19-2.mol

Synonyms:148528-19-2;2H-pyran-2-one, 6-(8-(3-chloro-1H-pyrrol-2-yl)-1-methyl-1,3,5,7-octatetraenyl)-4-methoxy-3-methyl-, (Z,E,E,E)-;6-[(2E,4E,6E,8E)-9-(3-chloro-1H-pyrrol-2-yl)nona-2,4,6,8-tetraen-2-yl]-4-methoxy-3-methylpyran-2-one;12E-isorumbrin;(E)-Isorumbrin;CHEMBL426025;AKOS040753866;LS-127422

Chemical Property of 2H-pyran-2-one, 6-(8-(3-chloro-1H-pyrrol-2-yl)-1-methyl-1,3,5,7-octatetraenyl)-4-methoxy-3-methyl-, (Z,E,E,E)-

Chemical Property:

• Vapor Pressure: 5.33E-15mmHg at 25°C
• Boiling Point: 613.8°Cat760mmHg
• Flash Point: 325°C
• Density: 1.22g/cm³
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 357.1131712
• Heavy Atom Count: 25
• Complexity: 683

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(OC1=O)C(=CC=CC=CC=CC2=C(C=CN2)Cl)C)OC
• Isomeric SMILES: CC1=C(C=C(OC1=O)/C(=C/C=C/C=C/C=C/C2=C(C=CN2)Cl)/C)OC