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865675-32-7 | Hexadecanoic acid, 1-methyltridecyl ester
CAS No: 865675-32-7 Catalog No: AG004LFJ MDL No:
Product Description
Catalog Number:
AG004LFJ
Chemical Name:
Hexadecanoic acid, 1-methyltridecyl ester
CAS Number:
865675-32-7
Molecular Formula:
C30H60O2
Molecular Weight:
452.7962
IUPAC Name:
tetradecan-2-yl hexadecanoate
InChI:
InChI=1S/C30H60O2/c1-4-6-8-10-12-14-16-17-18-20-22-24-26-28-30(31)32-29(3)27-25-23-21-19-15-13-11-9-7-5-2/h29H,4-28H2,1-3H3
InChI Key:
ZYYAIZZOGVWIDN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCC)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.459g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.808g/mol
Monoisotopic Mass:
452.459g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
14
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