AG002LXL

230299-17-9 | 2,2'-Bi-4,6-methano-1,3,2-benzodioxaborole, dodecahydro-3a,3'a,5,5,5',5'-hexamethyl-, (3aR,3'aR,4R,4'R,6R,6'R,7aS,7'aS)-

AG002LXL

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CAS Number	230299-17-9
Catalog Number	AG002LXL(AGN-PC-0QZJ89)
Chemical Name	2,2'-Bi-4,6-methano-1,3,2-benzodioxaborole, dodecahydro-3a,3'a,5,5,5',5'-hexamethyl-, (3aR,3'aR,4R,4'R,6R,6'R,7aS,7'aS)-
IUPAC Name	(1R,2S,6R,8R)-2,9,9-trimethyl-4-[(1R,2S,6R,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
InChI	InChI=1S/C20H32B2O4/c1-17(2)11-7-13(17)19(5)15(9-11)23-21(25-19)22-24-16-10-12-8-14(18(12,3)4)20(16,6)26-22/h11-16H,7-10H2,1-6H3/t11-,12-,13-,14-,15-,16-,19+,20+/m1/s1
InChI Key	VNEZFUGEQURPEN-VGDIZKAKSA-N
MDL Number	MFCD27664803
Molecular Formula	C20H32B2O4
Molecular Weight	358.0877
SMILES	CC1(C)[C@@]2([H])C[C@]1([H])C[C@@]3([H])[C@]2(C)OB(B4O[C@@](C[C@]5([H])C[C@@]6([H])C5(C)C)(C)[C@@]6([H])O4)O3
Synonyms	Bis[(+)-pinanediolato]diboron, 230299-17-9, bis[(-)pinanediolato]diboron, 230299-05-5, PubChem9915, AC1MCN6F, MFCD02683577, AKOS025293621, ZINC195759097, BC000828, ST2406710, A-2989, 299B179, bis[(-)-pinanediolato]diboron, CB11019, CID2773595, CID 4712636, Bis[(1S,2S,3R,5S)-pinanediolato]diboron,

Complexity	612
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	358.249g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	358.092g/mol
Monoisotopic Mass	358.249g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	36.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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