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89482-32-6

89482-32-6 | Hexadecanedioic acid, bis(oxiranylmethyl) ester

CAS No: 89482-32-6 Catalog No: AG0042DW MDL No:

Product Description

Catalog Number:
AG0042DW
Chemical Name:
Hexadecanedioic acid, bis(oxiranylmethyl) ester
CAS Number:
89482-32-6
Molecular Formula:
C22H38O6
Molecular Weight:
398.5335
IUPAC Name:
bis(oxiran-2-ylmethyl) hexadecanedioate
InChI:
InChI=1S/C22H38O6/c23-21(27-17-19-15-25-19)13-11-9-7-5-3-1-2-4-6-8-10-12-14-22(24)28-18-20-16-26-20/h19-20H,1-18H2
InChI Key:
KIDHOZXCCWTXNZ-UHFFFAOYSA-N
SMILES:
O=C(OCC1OC1)CCCCCCCCCCCCCCC(=O)OCC1OC1

Properties

Complexity:
399  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.267g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.54g/mol
Monoisotopic Mass:
398.267g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  

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