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Home > Boronic Acids > 727708-56-7
727708-56-7 | Boroxin,2-ethyl-4,6-dimethyl-
CAS No: 727708-56-7 Catalog No: AG005F16 MDL No:MFCD28959377
Product Description
Catalog Number:
AG005F16
Chemical Name:
Boroxin,2-ethyl-4,6-dimethyl-
CAS Number:
727708-56-7
Molecular Formula:
C4H11B3O3
Molecular Weight:
139.5613
MDL Number:
MFCD28959377
IUPAC Name:
2-ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane
InChI:
InChI=1S/C4H11B3O3/c1-4-7-9-5(2)8-6(3)10-7/h4H2,1-3H3
InChI Key:
PHXGHSIICKBICE-UHFFFAOYSA-N
SMILES:
CCB1OB(C)OB(O1)C
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.559g/mol
Monoisotopic Mass:
140.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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