3-Methyl-6-thien-2-ylisoxazolo[5,4-b]pyridine-4-carboxylic acid - CAS 923881-51-0
Catalog: |
BB049080 |
Product Name: |
3-Methyl-6-thien-2-ylisoxazolo[5,4-b]pyridine-4-carboxylic acid |
CAS: |
923881-51-0 |
Synonyms: |
3-methyl-6-(thiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid; 3-methyl-6-(2-thienyl)isoxazolo[5,4-b]pyridine-4-carboxylic acid; Isoxazolo[5,4-b]pyridine-4-carboxylic acid, 3-methyl-6-(2-thienyl)- |
IUPAC Name: | 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid |
Description: | 3-Methyl-6-thien-2-ylisoxazolo[5,4-b]pyridine-4-carboxylic acid (CAS# 923881-51-0 ) is a useful research chemical. |
Molecular Weight: | 260.27 |
Molecular Formula: | C12H8N2O3S |
Canonical SMILES: | CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C(=O)O |
InChI: | InChI=1S/C12H8N2O3S/c1-6-10-7(12(15)16)5-8(9-3-2-4-18-9)13-11(10)17-14-6/h2-5H,1H3,(H,15,16) |
InChI Key: | QCHINKJFVLQVEW-UHFFFAOYSA-N |
Boiling Point: | 494.1±45.0 °C at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 341 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.0255633 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.0255633 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 105 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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Related Functional Groups
Isoxazoles
Thiophenes
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