4-(5-Oxazolyl)benzoic Acid - CAS 250161-45-6
Catalog: |
BB018700 |
Product Name: |
4-(5-Oxazolyl)benzoic Acid |
CAS: |
250161-45-6 |
Synonyms: |
4-(5-oxazolyl)benzoic acid; 4-(1,3-oxazol-5-yl)benzoic acid |
IUPAC Name: | 4-(1,3-oxazol-5-yl)benzoic acid |
Description: | 4-(5-Oxazolyl)benzoic Acid (CAS# 250161-45-6) is a useful research chemical. |
Molecular Weight: | 189.17 |
Molecular Formula: | C10H7NO3 |
Canonical SMILES: | C1=CC(=CC=C1C2=CN=CO2)C(=O)O |
InChI: | InChI=1S/C10H7NO3/c12-10(13)8-3-1-7(2-4-8)9-5-11-6-14-9/h1-6H,(H,12,13) |
InChI Key: | MCPBXFWYUHYSIZ-UHFFFAOYSA-N |
Boiling Point: | 390.3 °C at 760 mmHg |
Density: | 1.32 g/cm3 |
Appearance: | Green solid |
MDL: | MFCD02682033 |
LogP: | 2.03980 |
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 |
WO-2021102300-A1 | Piperazine compounds for inhibiting cps1 | 20191122 |
US-2019263790-A1 | Spirocyclic containing compounds and pharmaceutical uses thereof | 20160817 |
WO-2018032104-A1 | Spirocyclic containing compounds and pharmaceutical uses thereof | 20160817 |
US-10752615-B2 | Spirocyclic containing compounds and pharmaceutical uses thereof | 20160817 |
US-2015031668-A1 | Chroman derivatives as trpm8 inhibitors | 20130718 |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.042593085 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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