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89611-20-1 | Cyclohexanecarboxylicacid, octyl ester
CAS No: 89611-20-1 Catalog No: AG003YPO MDL No:
Product Description
Catalog Number:
AG003YPO
Chemical Name:
Cyclohexanecarboxylicacid, octyl ester
CAS Number:
89611-20-1
Molecular Formula:
C15H28O2
Molecular Weight:
240.3816
IUPAC Name:
octyl cyclohexanecarboxylate
InChI:
InChI=1S/C15H28O2/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h14H,2-13H2,1H3
InChI Key:
TZBMAJZGRONTGN-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)C1CCCCC1
EC Number:
289-509-9
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.209g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.387g/mol
Monoisotopic Mass:
240.209g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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