Benzoxazole-5-carboxylic Acid - CAS 15112-41-1
Catalog: |
BB010614 |
Product Name: |
Benzoxazole-5-carboxylic Acid |
CAS: |
15112-41-1 |
Synonyms: |
1,3-benzoxazole-5-carboxylic acid; 1,3-benzoxazole-5-carboxylic acid |
IUPAC Name: | 1,3-benzoxazole-5-carboxylic acid |
Description: | Benzoxazole-5-carboxylic Acid (CAS# 15112-41-1) is a useful research chemical. |
Molecular Weight: | 163.13 |
Molecular Formula: | C8H5NO3 |
Canonical SMILES: | C1=CC2=C(C=C1C(=O)O)N=CO2 |
InChI: | InChI=1S/C8H5NO3/c10-8(11)5-1-2-7-6(3-5)9-4-12-7/h1-4H,(H,10,11) |
InChI Key: | WJBOXEGAWJHKIM-UHFFFAOYSA-N |
LogP: | 1.52600 |
Publication Number | Title | Priority Date |
CN-113248492-A | Heterocycle substituted nitrogen-containing six-membered heterocycle derivative, preparation method and medical application thereof | 20200210 |
WO-2021124172-A1 | 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof | 20191218 |
TW-202104211-A | Hmox1 inducers | 20190412 |
WO-2020191261-A1 | Indazoles as lrrk2 inhibitors | 20190321 |
WO-2020172324-A1 | Nurr1 receptor modulators | 20190219 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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