Benzofuran-2-carboxylic acid structure
|
Common Name | Benzofuran-2-carboxylic acid | ||
|---|---|---|---|---|
| CAS Number | 496-41-3 | Molecular Weight | 162.14200 | |
| Density | N/A | Boiling Point | 310-315°C | |
| Molecular Formula | C9H6O3 | Melting Point | 193-196 °C(lit.) | |
| MSDS | N/A | Flash Point | 310-315°C | |
| Name | Benzofuran-2-carboxylic acid |
|---|---|
| Synonym | More Synonyms |
| Boiling Point | 310-315°C |
|---|---|
| Melting Point | 193-196 °C(lit.) |
| Molecular Formula | C9H6O3 |
| Molecular Weight | 162.14200 |
| Flash Point | 310-315°C |
| Exact Mass | 162.03200 |
| PSA | 50.44000 |
| LogP | 2.13100 |
| Vapour Pressure | 0mmHg at 25°C |
| Index of Refraction | 1.649 |
| InChIKey | OFFSPAZVIVZPHU-UHFFFAOYSA-N |
| SMILES | O=C(O)c1cc2ccccc2o1 |
| Water Solubility | partially soluble |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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| Hazard Codes | Xi:Irritant; |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S37/39 |
| WGK Germany | 3 |
| RTECS | DF6490000 |
| HS Code | 29329985 |
| Precursor 9 | |
|---|---|
| DownStream 10 | |
| HS Code | 29329985 |
|---|
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Name: qHTS screening for TAG (triacylglycerol) accumulators in algae
Source: 11812
Target: N/A
External Id: FATTTLab-Algae-Lipid
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Name: Screen for inhibitors of RMI FANCM (MM2) intereaction
Source: 11908
Target: N/A
External Id: RMI-FANCM-MM2
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Name: Experimentally measured binding affinity data (IC50) for protein-ligand complexes der...
Source: Shanghai Institute of Organic Chemistry
Target: N/A
External Id: PDBbind-IC50 for protein-ligand complexes
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|
Name: Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by ...
Source: ChEMBL
Target: Serine/threonine-protein kinase pim-1
External Id: CHEMBL1786237
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|
Name: Binding affinity to Mycobacterium tuberculosis Pantothenate synthetase
Source: ChEMBL
Target: Pantothenate synthetase
External Id: CHEMBL2183383
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|
Name: Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expre...
Source: ChEMBL
Target: Induced myeloid leukemia cell differentiation protein Mcl-1
External Id: CHEMBL2320307
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|
Name: qHTS assay for inhibitors of human lactate dehydrogenase
Source: NCGC
Target: N/A
External Id: LDHA
|
|
Name: Dissociation constant for HCV NS3 protease substrate binding site
Source: ChEMBL
Target: Genome polyprotein
External Id: CHEMBL751815
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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|
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
|
| Coumarilic Acid |
| MFCD00005848 |
| EINECS 207-818-9 |
| Benzofuran-2-carboxylic Acid |
| Benzo[b]furan-2-carboxylic acid |
| Coumarone-2-carboxylic Acid |
| 1-benzofuran-2-carboxylic acid |