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114486-32-7 | Dodecanoic acid, 2-octyl-, dodecyl ester
CAS No: 114486-32-7 Catalog No: AG000EJS MDL No:
Product Description
Catalog Number:
AG000EJS
Chemical Name:
Dodecanoic acid, 2-octyl-, dodecyl ester
CAS Number:
114486-32-7
Molecular Formula:
C32H64O2
Molecular Weight:
480.8494
IUPAC Name:
dodecyl 2-octyldodecanoate
InChI:
InChI=1S/C32H64O2/c1-4-7-10-13-16-18-19-21-24-27-30-34-32(33)31(28-25-22-15-12-9-6-3)29-26-23-20-17-14-11-8-5-2/h31H,4-30H2,1-3H3
InChI Key:
OFRJBXQYKVEVTH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOC(=O)C(CCCCCCCCCC)CCCCCCCC
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.491g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
480.862g/mol
Monoisotopic Mass:
480.491g/mol
Rotatable Bond Count:
29
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
15
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