AG002LXM

230299-05-5 | 2,2'-Bi-4,6-methano-1,3,2-benzodioxaborole, dodecahydro-3a,3'a,5,5,5',5'-hexamethyl-, (3aS,3'aS,4S,4'S,6S,6'S,7aR,7'aR)-

AG002LXM

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CAS Number	230299-05-5
Catalog Number	AG002LXM(AGN-PC-0QZJ6T)
Chemical Name	2,2'-Bi-4,6-methano-1,3,2-benzodioxaborole, dodecahydro-3a,3'a,5,5,5',5'-hexamethyl-, (3aS,3'aS,4S,4'S,6S,6'S,7aR,7'aR)-
IUPAC Name	(1S,2S,6R,8S)-2,9,9-trimethyl-4-[(1S,2S,6R,8S)-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-/m0/s1
InChI Key	VNEZFUGEQURPEN-YAEFTDRSSA-N
MDL Number	MFCD02683578
Molecular Formula	C20H32B2O4
Molecular Weight	358.0877
SMILES	C[C@]12[C@@]3(C(C)(C)[C@@](C3)(C[C@]1(OB(O2)B4O[C@]5(C)[C@](O4)(C[C@]6(C(C)(C)[C@@]5(C6)[H])[H])[H])[H])[H])[H]
Synonyms	230299-05-5, Bis[(+)-pinanediolato]diboron, bis((+)-pinanediolato)diboron, (3aS,3'aS,4S,4'S,6S,6'S,7aR,7'aR)-3a,3'a,5,5,5',5'-Hexamethyldodecahydro-2,2'-bi[4,6-methanobenzo[d][1,3,2]dioxaborole], 230299-17-9, ZINC169807876, OR10609, AS-37624, J3.614.279K, 2,2'-Bi((3aS,4S,6S,7aR)-3a,5,5-trimethyl-4,6-methanohexahydro-1,3,2-benzodioxaborole), (3aS,3aS,4S,4S,6S,6S,7aR,7aR)-3a,3a,5,5,5,5-Hexamethyldodecahydro-2,2-bi[4,6-methanobenzo[d][1,3,2]dioxaborole], 2,2'-Bi-4,6-methano-1,3,2-benzodioxaborole, dodecahydro-3a,3'a,5,5,5',5'-hexamethyl-, (3aS,3'aS,4S,4'S,6S,6'S,7aR,7'aR)-, bis((-)-pinanediolato)diboron, CID 4712636, CID11970270,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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