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Home > Boronic Acids > 72824-01-2
72824-01-2 | 1,3,2-Dioxaborolane, 2-(1-methylpropyl)-
CAS No: 72824-01-2 Catalog No: AG005EK8 MDL No:
Product Description
Catalog Number:
AG005EK8
Chemical Name:
1,3,2-Dioxaborolane, 2-(1-methylpropyl)-
CAS Number:
72824-01-2
Molecular Formula:
C6H13BO2
Molecular Weight:
127.9772
IUPAC Name:
2-butan-2-yl-1,3,2-dioxaborolane
InChI:
InChI=1S/C6H13BO2/c1-3-6(2)7-8-4-5-9-7/h6H,3-5H2,1-2H3
InChI Key:
BNVINKZRLJJUPO-UHFFFAOYSA-N
SMILES:
CCC(B1OCCO1)C
Properties
Complexity:
81.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.101g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.978g/mol
Monoisotopic Mass:
128.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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