Showing Metabocard for 4-methylumbelliferyl acetate (BASm0001070)
| Common Name | 4-methylumbelliferyl acetate |
|---|---|
| Description | 4-Methylumbelliferyl acetate is found in fenugreek. 4-Methylumbelliferyl acetate is isolated from fenugreek (Trigonella foenum-graecum). |
| Structure | |
| Molecular Formula | C12H10O4 |
| Average Mass | 218.20540 |
| Monoisotopic Mass | 218.05791 |
| IUPAC Name | 4-methyl-2-oxo-2H-chromen-7-yl acetate |
| Traditional Name | 4-methylumbelliferyl acetate |
| CAS Registry Number | 2747-05-09 |
| SMILES | CC(=O)Oc1ccc2c(C)cc(=O)oc2c1 |
| InChI Identifier | InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3 |
| InChI Key | HXVZGASCDAGAPS-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:17763 |
| HMDB ID | HMDB0032989 |
| State | Not Available |
| Water Solubility | 2.36e-01 g/l |
| logP | 2.03 |
| logS | -2.97 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | -6.73 |
| Hydrogen Acceptor Count | 2 |
| Hydrogen Donor Count | 0 |
| Polar Surface Area | 52.6 Ų |
| Rotatable Bond Count | 2 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 56.96 m³·mol⁻¹ |
| Polarizability | 21.58 |