3-Phenylisoxazole-5-carboxylic acid - CAS 14442-12-7
Catalog: |
BB009774 |
Product Name: |
3-Phenylisoxazole-5-carboxylic acid |
CAS: |
14442-12-7 |
Synonyms: |
3-phenyl-1,2-oxazole-5-carboxylic acid |
IUPAC Name: | 3-phenyl-1,2-oxazole-5-carboxylic acid |
Description: | 3-Phenylisoxazole-5-carboxylic acid (CAS# 14442-12-7) is a useful research chemical. |
Molecular Weight: | 189.17 |
Molecular Formula: | C10H7NO3 |
Canonical SMILES: | C1=CC=C(C=C1)C2=NOC(=C2)C(=O)O |
InChI: | InChI=1S/C10H7NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h1-6H,(H,12,13) |
InChI Key: | YGTFDJRCCBKLDM-UHFFFAOYSA-N |
Boiling Point: | 200 °C |
Density: | 1.32 g/cm3 |
MDL: | MFCD01936010 |
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-2021073643-A1 | Drug for treating non-alcoholic steatohepatitis | 20191018 |
WO-2019209948-A1 | Compounds and uses thereof | 20180425 |
WO-2019209948-A9 | Compounds and uses thereof | 20180425 |
AU-2018360857-A1 | Modulators of the integrated stress pathway | 20171102 |
TW-201927756-A | Integrating stress pathway regulator | 20171102 |
Complexity: | 213 |
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: | 1.9 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Isoxazoles
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS