AG0038KM

63930-59-6 | 3-Oxocyclobutyl acetate

AG0038KM

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CAS Number	63930-59-6
Catalog Number	AG0038KM(AGN-PC-00G6CE)
Chemical Name	3-Oxocyclobutyl acetate
IUPAC Name	(3-oxocyclobutyl) acetate
InChI	InChI=1S/C6H8O3/c1-4(7)9-6-2-5(8)3-6/h6H,2-3H2,1H3
InChI Key	FWHLIVHQAGFBOA-UHFFFAOYSA-N
MDL Number	MFCD11976057
Molecular Formula	C6H8O3
Molecular Weight	128.1259
SMILES	C(C)(=O)OC1CC(C1)=O
Synonyms	3-OXOCYCLOBUTYL ACETATE, 63930-59-6, (3-oxocyclobutyl) Acetate, 3-Acetoxycyclobutanone, AK118872, Cyclobutanone, 3-(acetyloxy)-, SCHEMBL1795613, CTK2A7866, DTXSID70472598, FWHLIVHQAGFBOA-UHFFFAOYSA-N, 9793AB, MFCD11976057, ZINC36436738, AKOS016000412, CHM0117808, DS-5418, FCH1134315, PB31624, QC-4454, KS-000007F0, AJ-92834, OR317116, SC-22301, SY025795, AB0093806, AX8244288, CS-0045537, FT-0686174, ST24042405, MFCD11976057 (95%), Q-1679, C6H8O3, CID11788311,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.047g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	128.127g/mol
Monoisotopic Mass	128.047g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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