AG00956R

1166829-70-4 | Ethyl-2-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3- enyl)acetate

AG00956R

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CAS Number	1166829-70-4
Catalog Number	AG00956R(AGN-PC-0WNMO2)
Chemical Name	Ethyl-2-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3- enyl)acetate
IUPAC Name	ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]acetate
InChI	InChI=1S/C16H27BO4/c1-6-19-14(18)11-12-7-9-13(10-8-12)17-20-15(2,3)16(4,5)21-17/h9,12H,6-8,10-11H2,1-5H3
InChI Key	QIAHVZXOVXLJRI-UHFFFAOYSA-N
MDL Number	MFCD18383324
Molecular Formula	C16H27BO4
Molecular Weight	294.1942
SMILES	CC1(OB(OC1(C)C)C1=CCC(CC1)CC(=O)OCC)C
Synonyms	1166829-70-4, ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl)acetate, ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-enyl)acetate, ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]acetate, Ethyl-2-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3- enyl)acetate, SCHEMBL2254588, QIAHVZXOVXLJRI-UHFFFAOYSA-N, MFCD18383324, AKOS030631955, AS-55300, CS-0055778, A1-09989, Ethyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-enyl)acetate,

Complexity	412
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	294.2g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	294.198g/mol
Monoisotopic Mass	294.2g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	44.8A^2
Undefined Atom Stereocenter Count	1
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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