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3088-77-5 | 4-Heptanol, 2,6-dimethyl-, triester with boric acid (H3BO3) (8CI,9CI)
CAS No: 3088-77-5 Catalog No: AG0031JY MDL No:
Product Description
Catalog Number:
AG0031JY
Chemical Name:
4-Heptanol, 2,6-dimethyl-, triester with boric acid (H3BO3) (8CI,9CI)
CAS Number:
3088-77-5
IUPAC Name:
tris(2,6-dimethylheptan-4-yl) borate
InChI:
InChI=1S/C27H57BO3/c1-19(2)13-25(14-20(3)4)29-28(30-26(15-21(5)6)16-22(7)8)31-27(17-23(9)10)18-24(11)12/h19-27H,13-18H2,1-12H3
InChI Key:
CAITWKMIMWHCLL-UHFFFAOYSA-N
NSC Number:
784
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.44g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.56g/mol
Monoisotopic Mass:
440.44g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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