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122230-64-2 | Benzoic acid, 4-(trans-4-ethylcyclohexyl)-, 4-pentylphenyl ester
CAS No: 122230-64-2 Catalog No: AG0016YE MDL No:
Product Description
Catalog Number:
AG0016YE
Chemical Name:
Benzoic acid, 4-(trans-4-ethylcyclohexyl)-, 4-pentylphenyl ester
CAS Number:
122230-64-2
Molecular Formula:
C26H34O2
Molecular Weight:
378.5470
IUPAC Name:
(4-pentylphenyl) 4-(4-ethylcyclohexyl)benzoate
InChI:
InChI=1S/C26H34O2/c1-3-5-6-7-21-10-18-25(19-11-21)28-26(27)24-16-14-23(15-17-24)22-12-8-20(4-2)9-13-22/h10-11,14-20,22H,3-9,12-13H2,1-2H3
InChI Key:
NSTGOKYXHMLIQL-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)OC(=O)c1ccc(cc1)[C@@H]1CC[C@H](CC1)CC
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.256g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.556g/mol
Monoisotopic Mass:
378.256g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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