3-Isochromanone structure
|
Common Name | 3-Isochromanone | ||
|---|---|---|---|---|
| CAS Number | 4385-35-7 | Molecular Weight | 148.159 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 332.6±31.0 °C at 760 mmHg | |
| Molecular Formula | C9H8O2 | Melting Point | 80-82 °C(lit.) | |
| MSDS | N/A | Flash Point | 137.7±22.2 °C | |
| Name | 3-Isochromanone |
|---|---|
| Synonym | More Synonyms |
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 332.6±31.0 °C at 760 mmHg |
| Melting Point | 80-82 °C(lit.) |
| Molecular Formula | C9H8O2 |
| Molecular Weight | 148.159 |
| Flash Point | 137.7±22.2 °C |
| Exact Mass | 148.052429 |
| PSA | 26.30000 |
| LogP | 0.75 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.562 |
| InChIKey | ILHLUZUMRJQEAH-UHFFFAOYSA-N |
| SMILES | O=C1Cc2ccccc2CO1 |
| Hazard Codes | Xi:Irritant; |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S37/39 |
| WGK Germany | 3 |
| HS Code | 2932999099 |
| HS Code | 2932999099 |
|---|---|
| Summary | 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
|
Name: Octanol-water distribution coefficient, log D at pH 7.4 by shake-flask technique
Source: ChEMBL
Target: N/A
External Id: CHEMBL948522
|
|
Name: Enzyme Inhibition Assay from Article 10.1016/j.bmc.2006.06.050: "Synthesis and struct...
Source: BindingDB
Target: N/A
External Id: BindingDB_2739_1
|
|
Name: Hexadecane-water distribution coefficient, log D at pH 7.4 by shake-flask technique
Source: ChEMBL
Target: N/A
External Id: CHEMBL949564
|
| 1,4-dihydroisochromen-3-one |
| 1,4-Dihydro-3H-2-benzopyran-3-one |
| 3-IsochroManone |
| EINECS 224-493-9 |
| 1,4-Dihydro-3H-isochromen-3-one |
| MFCD00043005 |