benzylpenicilloic acid
- Product Namebenzylpenicilloic acid
- CAS13057-98-2
- MFC16H20N2O5S
- MW352.41
- EINECS
- MOL File13057-98-2.mol
Chemical Properties
| Melting point | 112 °C |
| Boiling point | 687.1±55.0 °C(Predicted) |
| Density | 1.331±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| pka | pKa 5.32±0.05(H2O t=25 c=0.01M)(Approximate) |
| color | white |
| InChI | 1S/C16H20N2O5S/c1-16(2)12(15(22)23)18-13(24-16)11(14(20)21)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23) |
| InChIKey | HCYWNSXLUZRKJX-UHFFFAOYSA-N |
| SMILES | S1C(NC(C1(C)C)C(=O)O)C(NC(=O)Cc2ccccc2)C(=O)O |