Benzofuran-7-carboxylic Acid - CAS 90484-22-3
Catalog: |
BB039867 |
Product Name: |
Benzofuran-7-carboxylic Acid |
CAS: |
90484-22-3 |
Synonyms: |
7-benzofurancarboxylic acid; 1-benzofuran-7-carboxylic acid |
IUPAC Name: | 1-benzofuran-7-carboxylic acid |
Description: | Benzofuran-7-carboxylic Acid (CAS# 90484-22-3) is a useful research chemical. |
Molecular Weight: | 162.14 |
Molecular Formula: | C9H6O3 |
Canonical SMILES: | C1=CC2=C(C(=C1)C(=O)O)OC=C2 |
InChI: | InChI=1S/C9H6O3/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5H,(H,10,11) |
InChI Key: | QMHILIQFOBNARN-UHFFFAOYSA-N |
Boiling Point: | 325.559 °C at 760 mmHg |
Density: | 1.364 g/cm3 |
LogP: | 2.13100 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021147386-A1 | Pyrrolidine and piperidine compounds | 20191106 |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065613-A1 | Monoacylglycerol lipase modulators | 20180928 |
EP-3641748-A1 | Treating disease and promoting weight loss by inhibiting the tma/fmo3/tmao pathway | 20170619 |
WO-2018236899-A1 | TREATMENT OF A DISEASE AND PROMOTION OF WEIGHT LOSS BY INHIBITING THE TMA / FMO3 / TMAO PATHWAY | 20170619 |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.031694049 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.031694049 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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