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66747-06-6 | Hexadecanoic acid, (2-methyl-1,3,2-dioxaborolan-4-yl)methyl ester
CAS No: 66747-06-6 Catalog No: AG006I4R MDL No:
Product Description
Catalog Number:
AG006I4R
Chemical Name:
Hexadecanoic acid, (2-methyl-1,3,2-dioxaborolan-4-yl)methyl ester
CAS Number:
66747-06-6
Molecular Formula:
C20H39BO4
Molecular Weight:
354.3323
IUPAC Name:
(2-methyl-1,3,2-dioxaborolan-4-yl)methyl hexadecanoate
InChI:
InChI=1S/C20H39BO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(22)23-17-19-18-24-21(2)25-19/h19H,3-18H2,1-2H3
InChI Key:
HMBFSXMAHIHCAL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)OCC1COB(O1)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.294g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.338g/mol
Monoisotopic Mass:
354.294g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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