5-Benzylisoxazole-3-carboxylic Acid - CAS 1621018-32-3

Catalog:	BB011835
Product Name:	5-Benzylisoxazole-3-carboxylic Acid
CAS:	1621018-32-3
Synonyms:	5-(phenylmethyl)-3-isoxazolecarboxylic acid; 5-benzyl-1,2-oxazole-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	5-benzyl-1,2-oxazole-3-carboxylic acid
Description:	5-Benzylisoxazole-3-carboxylic Acid (CAS# 1621018-32-3) is a useful research chemical.
Molecular Weight:	203.19
Molecular Formula:	C11H9NO3
Canonical SMILES:	C1=CC=C(C=C1)CC2=CC(=NO2)C(=O)O
InChI:	InChI=1S/C11H9NO3/c13-11(14)10-7-9(15-12-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)
InChI Key:	MQTGSIQQEKYWMR-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2020239074-A1	Bicyclic compound as rip-1 kinase inhibitor and application thereof	20190531
EP-3816163-A1	Cell necrosis inhibitor, preparation method therefor and use thereof	20180626
US-2021292340-A1	Cell necrosis inhibitor, preparation method therefor and use thereof	20180626
US-10975064-B2	RIP1 inhibitory compounds and methods for making and using the same	20180503
WO-2018007973-A2	Process and intermediates for preparing benzoxazepines	20160706

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Related Functional Groups

Carbonyl Compounds

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[87-88-7]
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[832741-29-4]
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[1431966-64-1]
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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:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.058243149
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	203.058243149
Rotatable Bond Count:	3
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2