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117197-09-8 | Hexanoic acid, tridecyl ester
CAS No: 117197-09-8 Catalog No: AG000DWQ MDL No:
Product Description
Catalog Number:
AG000DWQ
Chemical Name:
Hexanoic acid, tridecyl ester
CAS Number:
117197-09-8
Molecular Formula:
C19H38O2
Molecular Weight:
298.5038
IUPAC Name:
tridecyl hexanoate
InChI:
InChI=1S/C19H38O2/c1-3-5-7-8-9-10-11-12-13-14-16-18-21-19(20)17-15-6-4-2/h3-18H2,1-2H3
InChI Key:
RUFYWJXUALXUIF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCOC(=O)CCCCC
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.287g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.511g/mol
Monoisotopic Mass:
298.287g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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