Oxetane-3-carboxylic acid - CAS 114012-41-8

Catalog:	BB003290
Product Name:	Oxetane-3-carboxylic acid
CAS:	114012-41-8
Synonyms:	3-Oxetanecarboxylic acid

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Catalog	Size	Price	Stock	Quantity
BB003290	1 g	$298	In stock

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Technical Data

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Computed Properties

IUPAC Name:	oxetane-3-carboxylic acid
Molecular Weight:	102.09
Molecular Formula:	C4H6O3
Canonical SMILES:	C1C(CO1)C(=O)O
InChI:	InChI=1S/C4H6O3/c5-4(6)3-1-7-2-3/h3H,1-2H2,(H,5,6)
InChI Key:	UWOTZNQZPLAURK-UHFFFAOYSA-N
Boiling Point:	244.2 °C at 760 mmHg
Purity:	95 %
Density:	1.374 g/cm³
Appearance:	Liquid
MDL:	MFCD08669505
LogP:	-0.28260

Publication Number	Title	Priority Date
CN-111226976-A	Antiviral and antibacterial composition, application method thereof and prepared product	20200311
CN-111235658-A	Antimicrobial fabric, preparation method thereof and prepared product	20200311
KR-20210108274-A	1,3,4-Oxadiazole Derivative Compounds as Histone Deacetylase 6 Inhibitor, and the Pharmaceutical Composition Comprising the same	20200225
KR-20210108555-A	1,3,4-Oxadiazol Derivative Compounds as Histone Deacetylase 6 Inhibitor, and the Pharmaceutical Composition Comprising the same	20200225
WO-2021172886-A1	1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20200225

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

Oxetane/Thietane

[1379811-98-9]
3-(3-Bromophenyl)oxetan-3-ol
[1193389-20-6]
oxalic acid; oxetan-3-amine
[1352242-97-7]
2-(thietan-3-yl)ethan-1-amine
[241820-91-7]
2-Oxa-7-azaspiro[3.5]nonane
[1401967-56-3]
3-(3-Pyridyl)-3-oxetanol
[1379325-60-6]
3-(Hydroxymethyl)oxetane-3-carboxylic Acid

GHS Hazard Statement:	H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	84.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	102.031694049
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	102.031694049
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6