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205105-15-3 | 1,3,2-Dioxaborinane, 5,5-dimethyl-2-(4-octyl-2-thienyl)-
CAS No: 205105-15-3 Catalog No: AG0029VP MDL No:
Product Description
Catalog Number:
AG0029VP
Chemical Name:
1,3,2-Dioxaborinane, 5,5-dimethyl-2-(4-octyl-2-thienyl)-
CAS Number:
205105-15-3
Molecular Formula:
C17H29BO2S
Molecular Weight:
308.2870
IUPAC Name:
5,5-dimethyl-2-(4-octylthiophen-2-yl)-1,3,2-dioxaborinane
InChI:
InChI=1S/C17H29BO2S/c1-4-5-6-7-8-9-10-15-11-16(21-12-15)18-19-13-17(2,3)14-20-18/h11-12H,4-10,13-14H2,1-3H3
InChI Key:
UIPUPVHBVAILFB-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1csc(c1)B1OCC(CO1)(C)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.198g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.287g/mol
Monoisotopic Mass:
308.198g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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