2-Hydroxypalmitic acid
CAS No. | 764-67-0 |
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MDL No. | MFCD00014343 |
MF | C16H32O3 |
MW | 272.42 |
InChI Key | JGHSBPIZNUXPLA-UHFFFAOYSA-N |
CAS No. | 764-67-0 |
---|---|
MDL No. | MFCD00014343 |
MF | C16H32O3 |
MW | 272.42 |
InChI Key | JGHSBPIZNUXPLA-UHFFFAOYSA-N |
Canonical SMILES | CCCCCCCCCCCCCCC(C(=O)O)O |
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Isomeric SMILES | CCCCCCCCCCCCCCC(C(=O)O)O |
IUPAC Name | 2-hydroxyhexadecanoic acid |
InChI | InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15,17H,2-14H2,1H3,(H,18,19) |
InChI Key | JGHSBPIZNUXPLA-UHFFFAOYSA-N |
Heavy Atom Count | 19 | Rotatable Bond Count | 14 |
Atom Stereo Count | 1 | Bond Stereo Count | 0 |
HBA | 2 | HBD | 2 |
TPSA | 57.530 Ų | Charge | 0 |
Exact Mass | 272.23514 | Complexity | 204.17 |
pKa | 3.515 | XLogP | 4.523 |