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83826-43-1 | Tetradecanoic acid,octyldodecyl ester
CAS No: 83826-43-1 Catalog No: AG004VWO MDL No:
Product Description
Catalog Number:
AG004VWO
Chemical Name:
Tetradecanoic acid,octyldodecyl ester
CAS Number:
83826-43-1
Molecular Formula:
C34H68O2
Molecular Weight:
508.9025
IUPAC Name:
2-octyldodecyl tetradecanoate
InChI:
InChI=1S/C34H68O2/c1-4-7-10-13-16-18-19-20-22-25-28-31-34(35)36-32-33(29-26-23-15-12-9-6-3)30-27-24-21-17-14-11-8-5-2/h33H,4-32H2,1-3H3
InChI Key:
BGRXBNZMPMGLQI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(=O)OCC(CCCCCCCCCC)CCCCCCCC
EC Number:
245-205-8
UNII:
S013N99GR8
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
508.522g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
508.916g/mol
Monoisotopic Mass:
508.522g/mol
Rotatable Bond Count:
31
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
16
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