6-(2-Furyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid - CAS 900136-96-1
Catalog: |
BB049086 |
Product Name: |
6-(2-Furyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid |
CAS: |
900136-96-1 |
Synonyms: |
Isoxazolo[5,4-b]pyridine-4-carboxylic acid, 6-(2-furanyl)-3-methyl-; 6-(furan-2-yl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid; 6-(2-Furyl)-3-methyl[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid |
IUPAC Name: | 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid |
Description: | 6-(2-Furyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid (CAS# 900136-96-1 ) is a useful research chemical. |
Molecular Weight: | 244.20 |
Molecular Formula: | C12H8N2O4 |
Canonical SMILES: | CC1=NOC2=C1C(=CC(=N2)C3=CC=CO3)C(=O)O |
InChI: | InChI=1S/C12H8N2O4/c1-6-10-7(12(15)16)5-8(9-3-2-4-17-9)13-11(10)18-14-6/h2-5H,1H3,(H,15,16) |
InChI Key: | CDSYAVVUQVMVKQ-UHFFFAOYSA-N |
Boiling Point: | 470.6±45.0 ℃ at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.4±0.1 g/cm3 |
GHS Hazard Statement: | H303 (100%): May be 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, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 338 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.04840674 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.04840674 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 89.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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Isoxazoles
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