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16847-05-5 | Cyclohexaneoctanoic acid, 2-butyl-, methyl ester
CAS No: 16847-05-5 Catalog No: AG001Y2P MDL No:
Product Description
Catalog Number:
AG001Y2P
Chemical Name:
Cyclohexaneoctanoic acid, 2-butyl-, methyl ester
CAS Number:
16847-05-5
Molecular Formula:
C19H36O2
Molecular Weight:
296.4879
IUPAC Name:
methyl 8-(2-butylcyclohexyl)octanoate
InChI:
InChI=1S/C19H36O2/c1-3-4-12-17-14-10-11-15-18(17)13-8-6-5-7-9-16-19(20)21-2/h17-18H,3-16H2,1-2H3
InChI Key:
MCPUIPZASRSCFE-UHFFFAOYSA-N
SMILES:
CCCCC1CCCCC1CCCCCCCC(=O)OC
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.272g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.495g/mol
Monoisotopic Mass:
296.272g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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