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Home > Other Building Blocks > 85480-95-1
85480-95-1 | 1-HEXYLDODECANE-1,12-DIYL DIDOCOSANOATE
CAS No: 85480-95-1 Catalog No: AG004N8I MDL No:
Product Description
Catalog Number:
AG004N8I
Chemical Name:
1-HEXYLDODECANE-1,12-DIYL DIDOCOSANOATE
CAS Number:
85480-95-1
Molecular Formula:
C62H122O4
Molecular Weight:
931.6297
IUPAC Name:
12-docosanoyloxyoctadecyl docosanoate
InChI:
InChI=1S/C62H122O4/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-33-35-39-43-47-52-57-61(63)65-59-54-49-45-41-37-38-42-46-51-56-60(55-50-12-9-6-3)66-62(64)58-53-48-44-40-36-34-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h60H,4-59H2,1-3H3
InChI Key:
OYVAGBUQKNBMFZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC(OC(=O)CCCCCCCCCCCCCCCCCCCCC)CCCCCC
EC Number:
287-375-6
Properties
Complexity:
918
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
930.934g/mol
Formal Charge:
0
Heavy Atom Count:
66
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
931.654g/mol
Monoisotopic Mass:
930.934g/mol
Rotatable Bond Count:
60
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
28.8
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