| CAS Number | 28393-06-8 |
| Catalog Number | AG003DTW(AGN-PC-0782EN) |
| Chemical Name | 10,12-HEptadecadiynoic acid |
| IUPAC Name | heptadeca-10,12-diynoic acid |
| InChI | InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-4,9-16H2,1H3,(H,18,19) |
| InChI Key | CLTRJQSBWDSZHN-UHFFFAOYSA-N |
| MDL Number | MFCD00142348 |
| Molecular Formula | C17H26O2 |
| Molecular Weight | 262.3871 |
| SMILES | CCCCC#CC#CCCCCCCCCC(O)=O |
| Synonyms | 10,12-Heptadecadiynoic Acid,
28393-06-8,
HEPTADECA-10,12-DIYNOIC ACID,
ACMC-209h2d,
10,12-Heptadecadiynoicacid,
10,12-hepta-decadiynoic acid,
SCHEMBL3794459,
CTK1A1195,
DTXSID50659921,
ZINC2512188,
ANW-26387,
MFCD00142348,
AKOS015839843,
TR-012534,
I14-108617,
H0775,
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| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.193g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.393g/mol |
| Monoisotopic Mass | 262.193g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number