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Home > Boronic Acids > 110897-45-5
110897-45-5 | Boronic acid, [(1E)-1-methyl-1-hexenyl]-, dimethyl ester
CAS No: 110897-45-5 Catalog No: AG007U3E MDL No:
Product Description
Catalog Number:
AG007U3E
Chemical Name:
Boronic acid, [(1E)-1-methyl-1-hexenyl]-, dimethyl ester
CAS Number:
110897-45-5
Molecular Formula:
C9H19BO2
Molecular Weight:
170.0570
IUPAC Name:
hept-2-en-2-yl(dimethoxy)borane
InChI:
InChI=1S/C9H19BO2/c1-5-6-7-8-9(2)10(11-3)12-4/h8H,5-7H2,1-4H3
InChI Key:
GKLAUNHGWWOOMY-UHFFFAOYSA-N
SMILES:
CCCC/C=C(\B(OC)OC)/C
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.148g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.059g/mol
Monoisotopic Mass:
170.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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