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27611-01-4 | Dodecanoic acid, 2-decyltetradecyl ester
CAS No: 27611-01-4 Catalog No: AG002U8C MDL No:
Product Description
Catalog Number:
AG002U8C
Chemical Name:
Dodecanoic acid, 2-decyltetradecyl ester
CAS Number:
27611-01-4
Molecular Formula:
C36H72O2
Molecular Weight:
536.9557
IUPAC Name:
2-decyltetradecyl dodecanoate
InChI:
InChI=1S/C36H72O2/c1-4-7-10-13-16-19-21-23-26-29-32-35(31-28-25-22-18-15-12-9-6-3)34-38-36(37)33-30-27-24-20-17-14-11-8-5-2/h35H,4-34H2,1-3H3
InChI Key:
PRAQHFXSEMSCMI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC(COC(=O)CCCCCCCCCCC)CCCCCCCCCC
EC Number:
248-571-7
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
536.553g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
536.97g/mol
Monoisotopic Mass:
536.553g/mol
Rotatable Bond Count:
33
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
17.1
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