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Home > Boronic Acids > 608534-40-3
608534-40-3 | 2-(Oct-4-en-4-yl);-1,3,6,2-dioxazaborocane
CAS No: 608534-40-3 Catalog No: AG003LXS MDL No:
Product Description
Catalog Number:
AG003LXS
Chemical Name:
2-(Oct-4-en-4-yl);-1,3,6,2-dioxazaborocane
CAS Number:
608534-40-3
Molecular Formula:
C12H24BNO2
Molecular Weight:
225.1355
IUPAC Name:
2-[(E)-oct-4-en-4-yl]-1,3,6,2-dioxazaborocane
InChI:
InChI=1S/C12H24BNO2/c1-3-5-7-12(6-4-2)13-15-10-8-14-9-11-16-13/h7,14H,3-6,8-11H2,1-2H3/b12-7-
InChI Key:
DDUALPSMSSZXNB-GHXNOFRVSA-N
SMILES:
CCC/C(=C/CCC)/B1OCCNCCO1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
225.19g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.139g/mol
Monoisotopic Mass:
225.19g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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