AG0012OP

1370008-65-3 | 2-Cyclopenten-1-one, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

AG0012OP

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CAS Number	1370008-65-3
Catalog Number	AG0012OP(AGN-PC-0WD7X9)
Chemical Name	2-Cyclopenten-1-one, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
IUPAC Name	3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-2-en-1-one
InChI	InChI=1S/C11H17BO3/c1-10(2)11(3,4)15-12(14-10)8-5-6-9(13)7-8/h7H,5-6H2,1-4H3
InChI Key	CGTGLMSBJLJNCL-UHFFFAOYSA-N
MDL Number	MFCD22683474
Molecular Formula	C11H17BO3
Molecular Weight	208.0619
SMILES	CC1(OB(OC1(C)C)C1=CC(CC1)=O)C
Synonyms	1370008-65-3, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-2-en-1-one, 2-Cyclopenten-1-one, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, (3-Oxocyclopent-1-en-1-yl)boronic acid pinacol ester, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-2-enone, SCHEMBL865956, CGTGLMSBJLJNCL-UHFFFAOYSA-N, KS-000005PE, MFCD22683474, ZINC203661377, SB13456, AS-53027, CS-0051753, 1-Oxocyclopent-2-en-3-boronic acid pinacol ester, 3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-cyclopent-2-enone, 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-2-en-1-one,

Complexity	315
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.127g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	208.064g/mol
Monoisotopic Mass	208.127g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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