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Home > Boronic Acids > 501014-44-4
501014-44-4 | 2-(2,3-Dihydro-1H-inden-2-yl)-1,3,6,2-dioxazaborocane
CAS No: 501014-44-4 Catalog No: AG003HG8 MDL No:
Product Description
Catalog Number:
AG003HG8
Chemical Name:
2-(2,3-Dihydro-1H-inden-2-yl)-1,3,6,2-dioxazaborocane
CAS Number:
501014-44-4
Molecular Formula:
C13H18BNO2
Molecular Weight:
231.0985
IUPAC Name:
2-(2,3-dihydro-1H-inden-2-yl)-1,3,6,2-dioxazaborocane
InChI:
InChI=1S/C13H18BNO2/c1-2-4-12-10-13(9-11(12)3-1)14-16-7-5-15-6-8-17-14/h1-4,13,15H,5-10H2
InChI Key:
PLSXCXOMNZXQRU-UHFFFAOYSA-N
SMILES:
N1CCOB(OCC1)C1Cc2c(C1)cccc2
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.143g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.102g/mol
Monoisotopic Mass:
231.143g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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