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89561-43-3 | 1,3,2-Dioxaborinane, 2-(1-methylethyl)-5,5-diphenoxy-
CAS No: 89561-43-3 Catalog No: AG003Y9E MDL No:
Product Description
Catalog Number:
AG003Y9E
Chemical Name:
1,3,2-Dioxaborinane, 2-(1-methylethyl)-5,5-diphenoxy-
CAS Number:
89561-43-3
Molecular Formula:
C18H21BO4
Molecular Weight:
312.1679
IUPAC Name:
5,5-diphenoxy-2-propan-2-yl-1,3,2-dioxaborinane
InChI:
InChI=1S/C18H21BO4/c1-15(2)19-20-13-18(14-21-19,22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
InChI Key:
BCBZJXWCGCPMNZ-UHFFFAOYSA-N
SMILES:
CC(B1OCC(CO1)(Oc1ccccc1)Oc1ccccc1)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.153g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.172g/mol
Monoisotopic Mass:
312.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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