| Melting point |
131-133 °C(lit.) |
| alpha |
-49.5 º (c=2, CHCl3) |
| Boiling point |
290.25°C (rough estimate) |
| Density |
1.2021 (rough estimate) |
| refractive index |
-72 ° (C=1, AcOEt) |
| storage temp. |
Inert atmosphere,Room Temperature |
| solubility |
Chloroform (Slightly), Ethyl Acetate, Methanol (Slightly) |
| form |
Solid |
| pka |
12.05±0.40(Predicted) |
| color |
White to Off-White |
| optical activity |
[α]25/D 48°, c = 2 in chloroform |
| BRN |
4308995 |
| InChI |
InChI=1S/C9H9NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)/t8-/m0/s1 |
| InChIKey |
QDMNNMIOWVJVLY-QMMMGPOBSA-N |
| SMILES |
O1C[C@@H](C2=CC=CC=C2)NC1=O |
| CAS DataBase Reference |
90319-52-1(CAS DataBase Reference) |