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94278-23-6

94278-23-6 | 3-(BORONOOXY)-2-HYDROXYPROPYL STEARATE

CAS No: 94278-23-6 Catalog No: AG00H8OR MDL No:

Product Description

Catalog Number:
AG00H8OR
Chemical Name:
3-(BORONOOXY)-2-HYDROXYPROPYL STEARATE
CAS Number:
94278-23-6
Molecular Formula:
C21H43BO6
Molecular Weight:
402.3735
IUPAC Name:
(2-hydroxy-3-octadecanoyloxypropoxy)boronic acid
InChI:
InChI=1S/C21H43BO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)27-18-20(23)19-28-22(25)26/h20,23,25-26H,2-19H2,1H3
InChI Key:
QCJDCAOQAWDHMG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCC(COB(O)O)O
EC Number:
304-712-5

Properties

Complexity:
341  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.315g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
402.379g/mol
Monoisotopic Mass:
402.315g/mol
Rotatable Bond Count:
22  
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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