Benzoxazole-6-carboxylic Acid - CAS 154235-77-5
Catalog: |
BB010992 |
Product Name: |
Benzoxazole-6-carboxylic Acid |
CAS: |
154235-77-5 |
Synonyms: |
1,3-benzoxazole-6-carboxylic acid; 1,3-benzoxazole-6-carboxylic acid |
IUPAC Name: | 1,3-benzoxazole-6-carboxylic acid |
Description: | Benzoxazole-6-carboxylic Acid (CAS# 154235-77-5) is a reactant used in the design, synthesis, structure-activity relationship, and in vivo activity of azabicyclic aryl amides as α7 nicotinic acetylcholine receptor agonists. |
Molecular Weight: | 163.13 |
Molecular Formula: | C8H5NO3 |
Canonical SMILES: | C1=CC2=C(C=C1C(=O)O)OC=N2 |
InChI: | InChI=1S/C8H5NO3/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H,10,11) |
InChI Key: | FRNTUFQKHQMLSE-UHFFFAOYSA-N |
Boiling Point: | 350.094 ℃ at 760 mmHg |
Density: | 1.455 g/cm3 |
MDL: | MFCD09954949 |
LogP: | 1.52600 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113321627-A | Tafamidis derivative and synthetic method thereof | 20210606 |
WO-2021124158-A1 | Efficient process for making 6-carboxy benzoxazole derivatives | 20191220 |
EP-3636637-A1 | Inhibiting fatty acid synthase (fasn) | 20181010 |
US-2020115368-A1 | Inhibiting fatty acid synthase (fasn) | 20181010 |
TW-202026283-A | Inhibiting fatty acid synthase (fasn) | 20181010 |
PMID | Publication Date | Title | Journal |
5684 | 19760515 | [354 men with impaired fertility] | Nederlands tijdschrift voor geneeskunde |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.026943022 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.026943022 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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