Melting point |
111-114°C |
Boiling point |
492.1±38.0 °C(Predicted) |
Density |
1.200±0.06 g/cm3(Predicted) |
vapor pressure |
0Pa at 25℃ |
storage temp. |
Sealed in dry,Room Temperature |
solubility |
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
pka |
3.99±0.10(Predicted) |
form |
Solid |
color |
White |
InChI |
InChI=1/C16H21NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,17,20)(H,18,19)/t14-/s3 |
InChIKey |
CUSYTUPJAYLNFQ-WDHUHKLTNA-N |
SMILES |
[C@H](C1CCCCC1)(C(=O)O)NC(=O)OCC1C=CC=CC=1 |&1:0,r| |
LogP |
1.7 at 25℃ and pH2.5 |
CAS DataBase Reference |
69901-75-3(CAS DataBase Reference) |