2-(3,5-Dimethyl-4-isoxazolyl)acetic Acid - CAS 2510-27-2

Catalog:	BB018738
Product Name:	2-(3,5-Dimethyl-4-isoxazolyl)acetic Acid
CAS:	2510-27-2
Synonyms:	2-(3,5-dimethyl-4-isoxazolyl)acetic acid; 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid
Description:	2-(3,5-Dimethyl-4-isoxazolyl)acetic Acid (CAS# 2510-27-2) is a useful research chemical.
Molecular Weight:	155.15
Molecular Formula:	C7H9NO3
Canonical SMILES:	CC1=C(C(=NO1)C)CC(=O)O
InChI:	InChI=1S/C7H9NO3/c1-4-6(3-7(9)10)5(2)11-8-4/h3H2,1-2H3,(H,9,10)
InChI Key:	ZEONKMXUCHNYRN-UHFFFAOYSA-N
Boiling Point:	322.5 °C at 760 mmHg
MDL:	MFCD05864546
LogP:	0.91850

Publication Number	Title	Priority Date
EP-3532466-A1	Modulators of hedgehog (hh) signalling pathway	20161026
US-2020055847-A1	Modulators of hedgehog (hh) signalling pathway	20161026
WO-2018078360-A1	Modulators of hedgehog (hh) signalling pathway	20161026
US-10961238-B2	Modulators of hedgehog (Hh) signaling pathway	20161026
US-10278973-B2	Hydroxyl purine compounds and use thereof	20150520

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.058243149
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	155.058243149
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6