2-Phenyloxazole-5-carboxylic Acid - CAS 106833-79-8

Catalog:	BB001929
Product Name:	2-Phenyloxazole-5-carboxylic Acid
CAS:	106833-79-8
Synonyms:	2-phenyl-5-oxazolecarboxylic acid; 2-phenyl-1,3-oxazole-5-carboxylic acid

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Computed Properties

IUPAC Name:	2-phenyl-1,3-oxazole-5-carboxylic acid
Description:	2-Phenyloxazole-5-carboxylic Acid (CAS# 106833-79-8) is a useful research chemical.
Molecular Weight:	189.17
Molecular Formula:	C10H7NO3
Canonical SMILES:	C1=CC=C(C=C1)C2=NC=C(O2)C(=O)O
InChI:	InChI=1S/C10H7NO3/c12-10(13)8-6-11-9(14-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChI Key:	PPQVAHVZIBDHDB-UHFFFAOYSA-N
Boiling Point:	396.4 °C at 760 mmHg
Density:	1.32 g/cm³
Storage:	Sealed in dry, 2-8 °C
LogP:	2.03980

Publication Number	Title	Priority Date
WO-2021188907-A1	Pyridinesulfonamide derivatives as trap1 modulators and uses thereof	20200320
WO-2021117846-A1	Compound serving as pdgf receptor kinase inhibitor, and composition	20191213
EP-3822265-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
WO-2021094434-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
WO-2021097043-A1	Characterizing modulators of adamts-7 and adamts-12	20191115

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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:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.042593085
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.042593085
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9