| CAS Number | 69288-33-1 |
| Catalog Number | AG003FVC(AGN-PC-0782EJ) |
| Chemical Name | 2,4-Heneicosadiynoic Acid |
| IUPAC Name | henicosa-2,4-diynoic acid |
| InChI | InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-16H2,1H3,(H,22,23) |
| InChI Key | FDAZNVBNBCCNHU-UHFFFAOYSA-N |
| MDL Number | MFCD00060117 |
| Molecular Formula | C21H34O2 |
| Molecular Weight | 318.4935 |
| SMILES | C(CCCCCCCCCCCCC)CCC#CC#CC(=O)O |
| Synonyms | 2,4-Heneicosadiynoic Acid,
69288-33-1,
henicosa-2,4-diynoic acid,
2,4-HENEICOSADIYNOICACID,
2,4-Henicosadiynoic acid,
ACMC-209o6w,
SCHEMBL1933871,
CTK2F2154,
DTXSID60659917,
ANW-35622,
MFCD00060117,
AKOS015837595,
ZINC100022481,
TR-023060,
FT-0719580,
C-44736,
H0668,
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| Complexity | 410 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.256g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.501g/mol |
| Monoisotopic Mass | 318.256g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 9.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number