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6-Isopropyl-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid

6-Isopropyl-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid - CAS 923690-37-3

Catalog:	BB052699
Product Name:	6-Isopropyl-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid
CAS:	923690-37-3
Synonyms:	6-Isopropyl-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxylic acid; 3-methyl-6-(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
Molecular Weight:	220.22
Molecular Formula:	C11H12N2O3
Canonical SMILES:	CC1=NOC2=C1C(=CC(=N2)C(C)C)C(=O)O
InChI:	InChI=1S/C11H12N2O3/c1-5(2)8-4-7(11(14)15)9-6(3)13-16-10(9)12-8/h4-5H,1-3H3,(H,14,15)
InChI Key:	RILQHLKPPRZHAO-UHFFFAOYSA-N
Boiling Point:	357.0±42.0 °C at 760 mmHg
Purity:	95%
Density:	1.3±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Pyridines

[2122800-15-9]
3-(Phenyl-4-D)-N,N-dimethyl-3-(2-pyridyl)-1-propanamine
[1198098-45-1]
3-Allyl-5-methyl-1H-pyrrolo[2,3-b]pyridine
[76006-14-9]
3-Chloro-1H-pyrazolo[3,4-c]pyridine
[1122-43-6]
3-Hydroxy-2,6-dimethylpyridine
[938459-11-1]
N-Pyridin-3-ylpropane-1,3-diamine
[821768-09-6]
1-(3-(Trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylic acid

GHS Hazard Statement:	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, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	282
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.08479225
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	220.08479225
Rotatable Bond Count:	2
Topological Polar Surface Area:	76.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1