AG004PM7

84110-34-9 | 2-Methylpropaneboronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester

AG004PM7

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CAS Number	84110-34-9
Catalog Number	AG004PM7(AGN-PC-0UQFRZ)
Chemical Name	2-Methylpropaneboronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester
IUPAC Name	(1S,2S,6R,8S)-2,9,9-trimethyl-4-(2-methylpropyl)-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
InChI	InChI=1S/C14H25BO2/c1-9(2)8-15-16-12-7-10-6-11(13(10,3)4)14(12,5)17-15/h9-12H,6-8H2,1-5H3/t10-,11-,12+,14-/m0/s1
InChI Key	QGWQMLAZUPRXGK-FMSGJZPZSA-N
MDL Number	MFCD09837626
Molecular Formula	C14H25BO2
Molecular Weight	236.1581
SMILES	CC([C@]1([H])C2)(C)[C@]2([H])C[C@]3([H])[C@@]1(C)OB(CC(C)C)O3
Synonyms	84110-34-9, (3aS,4S,6S,7aR)-2-Isobutyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole, 2-METHYLPROPANEBORONIC ACID (1S,2S,3R,5S)-(+)-2,3-PINANEDIOL ESTER, QGWQMLAZUPRXGK-FMSGJZPZSA-N, AK-89988, SCHEMBL459674, AMTB1065, CTK8B6531, DTXSID70511259, BCP25879, ZX-RL003415, ANW-53607, MFCD09837626, AKOS015991281, ZINC169746203, BS-2112, OR310161, AX8229387, TC-142352, AM20120643, FT-0696470, ST24020422, (1alpha,5alpha)-2,6,6-Trimethyl-2alpha,3alpha-(isobutylboranediylbisoxy)bicyclo[3.1.1]heptane, (1S,2S,6R,8S)-1,8-dihydrogenio-2,9,9-trimethyl-4-(2-methylpropyl)-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane, (1S,2S,6R,8S)-2,9,9-trimethyl-4-(2-methylpropyl)-3,5-dioxa-4-boratricyclo[6.1.1.0?,?]decane, (1S,2S,6R,8S)-2,9,9-trimethyl-4-(2-methylpropyl)-3,5-dioxa-4-boratricyclo[6.1.1.0^{2,6}]decane, (3aS,4S,6S,7aR)-3a,5,5-Trimethyl-2-(2-methylpropyl)hexahydro-2H-4,6-methano-1,3,2-benzodioxaborole, (3aS,4S,6S,7aR)-3a,5,5-trimethyl-2-(2-methylpropyl)hexahydro-4,6-methano-1,3,2-benzodioxaborole, 2-(2-methylpropyl)-(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole, 2-Methylpropaneboronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester (3aS,4S,6S,7aR)-2-Isobutyl-3a,5,5-triMethylhexahydro-4,6-Methanobenzo[d][1,3,2]dioxaborole, C14H25BO2, (3aS,4S,6S,7aR)-2-Isobutyl-3a,5,5-trimethylhexahydro-4,6-methano-1,3,2-benzodioxaborole,

Complexity	328
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	236.195g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	236.162g/mol
Monoisotopic Mass	236.195g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	18.5A^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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