AG008ZUD

1071194-23-4 | 3-Oxocyclobutyl pivalate

AG008ZUD

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CAS Number	1071194-23-4
Catalog Number	AG008ZUD(AGN-PC-0WD6UT)
Chemical Name	3-Oxocyclobutyl pivalate
IUPAC Name	(3-oxocyclobutyl) 2,2-dimethylpropanoate
InChI	InChI=1S/C9H14O3/c1-9(2,3)8(11)12-7-4-6(10)5-7/h7H,4-5H2,1-3H3
InChI Key	QPYSQIQZVJMPGH-UHFFFAOYSA-N
MDL Number	MFCD24690600
Molecular Formula	C9H14O3
Molecular Weight	170.2057
SMILES	CC(C)(C)C(OC1CC(C1)=O)=O
Synonyms	3-oxocyclobutyl pivalate, 1071194-23-4, 2,2-DIMETHYLPROPANOIC ACID 3-OXOCYCLOBUTYL ESTER, SCHEMBL1795299, QPYSQIQZVJMPGH-UHFFFAOYSA-N, MFCD24690600, AKOS025146751, ZINC117136109, FCH2010260, SB13134, (3-oxocyclobutyl) 2,2-dimethylpropanoate, AK165099, AS-39367, 1-tert-butyl-1H-pyrazole-3-carboxylic acid, 942508-00-1,

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	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number