2-Methylbenzoxazole-5-carboxylic Acid - CAS 90322-32-0

Catalog:	BB039814
Product Name:	2-Methylbenzoxazole-5-carboxylic Acid
CAS:	90322-32-0
Synonyms:	2-methyl-1,3-benzoxazole-5-carboxylic acid; 2-methyl-1,3-benzoxazole-5-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	2-methyl-1,3-benzoxazole-5-carboxylic acid
Description:	2-Methylbenzoxazole-5-carboxylic Acid (CAS# 90322-32-0) is a useful research chemical.
Molecular Weight:	177.16
Molecular Formula:	C9H7NO3
Canonical SMILES:	CC1=NC2=C(O1)C=CC(=C2)C(=O)O
InChI:	InChI=1S/C9H7NO3/c1-5-10-7-4-6(9(11)12)2-3-8(7)13-5/h2-4H,1H3,(H,11,12)
InChI Key:	ICISTTBZCYNXMA-UHFFFAOYSA-N
Density:	1.38 g/cm³
MDL:	MFCD09759125
LogP:	1.83440

Publication Number	Title	Priority Date
WO-2021127166-A1	Inhibitors of enl/af9 yeats	20191217
JP-2021521104-A	Substituted benzofurans, benzopyrroles, benzothiophenes, and structurally related complement inhibitors	20180406
KR-20150095606-A	Slurry Composition for Chemical Mechanical Polishing	20150803
EP-3310776-A2	Inhibitors of bruton's tyrosine kinase	20150602
KR-20180021740-A	Inhibitor of bruton tyrosine kinase	20150602

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.042593085
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.042593085
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7