AG001D61

145549-76-4 | Cyclobutanecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester

AG001D61

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CAS Number	145549-76-4
Catalog Number	AG001D61(AGN-PC-0N1ICQ)
Chemical Name	Cyclobutanecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-oxocyclobutane-1-carboxylate
InChI	InChI=1S/C9H14O3/c1-9(2,3)12-8(11)6-4-7(10)5-6/h6H,4-5H2,1-3H3
InChI Key	JINYZTGTQXDUQR-UHFFFAOYSA-N
MDL Number	MFCD12827541
Molecular Formula	C9H14O3
Molecular Weight	170.2057
SMILES	O=C1CC(C1)C(=O)OC(C)(C)C
Synonyms	tert-Butyl 3-oxocyclobutanecarboxylate, 145549-76-4, Tert-butyl 3-oxocyclobutane-1-carboxylate, 3-Oxocyclobutanecarboxylic acid tert-butyl ester, CYCLOBUTANECARBOXYLIC ACID, 3-OXO-, 1,1-DIMETHYLETHYL ESTER, MFCD12827541, 3-OXO-CYCLOBUTANECARBOXYLIC ACID TERT-BUTYL ESTER, tert-Butyl 3-oxo-cyclobutanecarboxylate, AK-96702, A1-00072, 1-Boc-cyclobutan-3-one, SCHEMBL321152, AMCB00025, CTK8B7645, DTXSID00437438, JINYZTGTQXDUQR-UHFFFAOYSA-N, t-butyl 3-oxocyclobutanecarboxylate, 3-tert-butyloxycarbonylcyclobutanone, KS-000006XT, 7197AA, ANW-58048, WT2057, ZINC38434034, AKOS016002876, FCH1140616, PB25480, RL01830, Tert-butyl 3-oxocyclobutane carboxylate, TRA0045171, AJ-95307, DS-18564, SY039190, AX8159804, DB-063612, TC-146793, AM20130050, FT-0725936, MFCD12827541 (97%), Q-1031, TERT-BUTYL-3-OXOCYCLOBUTANE CARBOXYLATE, M111077, 145549-76-4 T-butyl-3-oxocyclobutanecarboxylate, 3-Oxocyclobutane-1-carboxylic acid tert-butyl ester, J-524565, C9H14O3, tert-Butyl3-oxocyclobutanecarboxylate, CID10261520,

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.094g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	170.208g/mol
Monoisotopic Mass	170.094g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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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