5-(2-Thienyl)isoxazole-3-carboxylic Acid - CAS 763109-71-3
Catalog: |
BB035545 |
Product Name: |
5-(2-Thienyl)isoxazole-3-carboxylic Acid |
CAS: |
763109-71-3 |
Synonyms: |
5-thiophen-2-yl-3-isoxazolecarboxylic acid; 5-thiophen-2-yl-1,2-oxazole-3-carboxylic acid |
IUPAC Name: | 5-thiophen-2-yl-1,2-oxazole-3-carboxylic acid |
Description: | 5-(2-Thienyl)isoxazole-3-carboxylic Acid (CAS# 763109-71-3) is a reactant in the cell-free formation of RNA granules with low complexity sequence domain proteins. |
Molecular Weight: | 195.20 |
Molecular Formula: | C8H5NO3S |
Canonical SMILES: | C1=CSC(=C1)C2=CC(=NO2)C(=O)O |
InChI: | InChI=1S/C8H5NO3S/c10-8(11)5-4-6(12-9-5)7-2-1-3-13-7/h1-4H,(H,10,11) |
InChI Key: | OBTRHBQUXRJHJR-UHFFFAOYSA-N |
Boiling Point: | 443.4 °C at 760 mmHg |
Density: | 1.47 g/cm3 |
MDL: | MFCD04113955 |
LogP: | 2.10130 |
GHS Hazard Statement: | H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021069701-A1 | Atf6 modulators and uses thereof | 20191009 |
WO-2021069721-A1 | Atf6 modulators and uses thereof | 20191009 |
WO-2020058913-A1 | Isoxazole carboxamide compounds and uses thereof | 20180921 |
CN-113056455-A | Isoxazole carboxamide compounds and uses thereof | 20180921 |
EP-3853212-A1 | Isoxazole carboxamide compounds and uses thereof | 20180921 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.99901420 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.99901420 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 91.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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