3-Oxocyclobutyl Acetate - CAS 63930-59-6

Catalog:	BB032327
Product Name:	3-Oxocyclobutyl Acetate
CAS:	63930-59-6
Synonyms:	acetic acid (3-oxocyclobutyl) ester; (3-oxocyclobutyl) acetate

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Computed Properties

IUPAC Name:	(3-oxocyclobutyl) acetate
Description:	3-Oxocyclobutyl Acetate (CAS# 63930-59-6) is a useful research chemical.
Molecular Weight:	128.13
Molecular Formula:	C6H8O3
Canonical SMILES:	CC(=O)OC1CC(=O)C1
InChI:	InChI=1S/C6H8O3/c1-4(7)9-6-2-5(8)3-6/h6H,2-3H2,1H3
InChI Key:	FWHLIVHQAGFBOA-UHFFFAOYSA-N
MDL:	MFCD11976057
LogP:	0.28100

Publication Number	Title	Priority Date
WO-2021203014-A1	Pyrano[4,3-b]l ndole derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd)	20200403
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Related Functional Groups

Carbonyl Compounds

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[87-88-7]
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[1006443-01-1]
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[956439-56-8]
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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:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.047344113
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	128.047344113
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4