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80361-89-3 | Cyclohexanecarboxylic acid, 4-hexyl-, methyl ester, cis-
CAS No: 80361-89-3 Catalog No: AG0053N4 MDL No:
Product Description
Catalog Number:
AG0053N4
Chemical Name:
Cyclohexanecarboxylic acid, 4-hexyl-, methyl ester, cis-
CAS Number:
80361-89-3
Molecular Formula:
C14H26O2
Molecular Weight:
226.3550
IUPAC Name:
methyl 4-hexylcyclohexane-1-carboxylate
InChI:
InChI=1S/C14H26O2/c1-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16-2/h12-13H,3-11H2,1-2H3
InChI Key:
YEDXHMIQQVZVNL-UHFFFAOYSA-N
SMILES:
CCCCCC[C@@H]1CC[C@@H](CC1)C(=O)OC
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.193g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.36g/mol
Monoisotopic Mass:
226.193g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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