(Z)-(9-Octadecenyl) dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate

Base Information

• Chemical Name: (Z)-(9-Octadecenyl) dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate
• CAS No.: 85586-84-1
• Molecular Formula: C24H42O7
• Molecular Weight: 442.58608
• European Community (EC) Number: 287-890-6,249-418-7
• Nikkaji Number: J333.901G
• Mol file: 85586-84-1.mol

Synonyms:EINECS 249-418-7;EINECS 287-890-6;85586-84-1;(Z)-(9-Octadecenyl) dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate;(Z)-9-Octadecenyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate;29089-68-7;SCHEMBL3305441;(Z)-(9-Octadecenyl)dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate;2-Hydroxy-3-[[(Z)-9-octadecenyloxy]carbonyl]-1,2-propanedicarboxylic acid

Chemical Property of (Z)-(9-Octadecenyl) dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate

Chemical Property:

• PSA: 121.13000
• LogP: 5.24760
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 22
• Exact Mass: 442.29305367
• Heavy Atom Count: 31
• Complexity: 530

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)O)O
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)O)O