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Home > Boronic Acids > 141135-31-1
141135-31-1 | Octadecanoic acid, (2-butoxy-1,3,2-dioxaborolan-4-yl)methyl ester
CAS No: 141135-31-1 Catalog No: AG001FZF MDL No:
Product Description
Catalog Number:
AG001FZF
Chemical Name:
Octadecanoic acid, (2-butoxy-1,3,2-dioxaborolan-4-yl)methyl ester
CAS Number:
141135-31-1
Molecular Formula:
C25H49BO5
Molecular Weight:
440.4646
IUPAC Name:
(2-butoxy-1,3,2-dioxaborolan-4-yl)methyl octadecanoate
InChI:
InChI=1S/C25H49BO5/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(27)28-22-24-23-30-26(31-24)29-21-6-4-2/h24H,3-23H2,1-2H3
InChI Key:
KULAQMLNOQNLSE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCC1COB(O1)OCCCC
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.367g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.472g/mol
Monoisotopic Mass:
440.367g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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