5-(4-Methoxyphenyl)isoxazole-3-carboxylic acid - CAS 33282-16-5
Catalog: |
BB021645 |
Product Name: |
5-(4-Methoxyphenyl)isoxazole-3-carboxylic acid |
CAS: |
33282-16-5 |
Synonyms: |
5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid |
IUPAC Name: | 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid |
Description: | 5-(4-Methoxyphenyl)isoxazole-3-carboxylic acid (CAS# 33282-16-5) is a useful research chemical. |
Molecular Weight: | 219.19 |
Molecular Formula: | C11H9NO4 |
Canonical SMILES: | COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)O |
InChI: | InChI=1S/C11H9NO4/c1-15-8-4-2-7(3-5-8)10-6-9(11(13)14)12-16-10/h2-6H,1H3,(H,13,14) |
InChI Key: | YIQABFVYNGOELP-UHFFFAOYSA-N |
Boiling Point: | 461.1 °C at 760 mmHg |
Density: | 1.31 g/cm3 |
MDL: | MFCD02130994 |
LogP: | 2.04840 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020181143-A1 | Fendiline derivatives | 20190305 |
JP-2019201631-A | Synthesis of therapeutic microvesicles and stem cells | 20180126 |
US-2021054344-A1 | Cpc exosomes mirna373 combination therapies | 20180126 |
US-2019151303-A1 | Quinolines that modulate serca and their use for treating disease | 20170227 |
US-10772881-B2 | Quinolines that modulate SERCA and their use for treating disease | 20170227 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.05315777 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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