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101452-99-7 | Hexanoic acid, nonyl ester
CAS No: 101452-99-7 Catalog No: AG0004HW MDL No:
Product Description
Catalog Number:
AG0004HW
Chemical Name:
Hexanoic acid, nonyl ester
CAS Number:
101452-99-7
Molecular Formula:
C15H30O2
Molecular Weight:
242.3975
IUPAC Name:
nonyl hexanoate
InChI:
InChI=1S/C15H30O2/c1-3-5-7-8-9-10-12-14-17-15(16)13-11-6-4-2/h3-14H2,1-2H3
InChI Key:
UQLYLJOCUOEHOM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOC(=O)CCCCC
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.225g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.403g/mol
Monoisotopic Mass:
242.225g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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