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65355-29-5 | 4-(trans-4-n-Propylcyclohexyl);benzoic acid
CAS No: 65355-29-5 Catalog No: AG003UXJ MDL No:MFCD06658177
Product Description
Catalog Number:
AG003UXJ
Chemical Name:
4-(trans-4-n-Propylcyclohexyl);benzoic acid
CAS Number:
65355-29-5
Molecular Formula:
C16H22O2
Molecular Weight:
246.3447
MDL Number:
MFCD06658177
IUPAC Name:
4-(4-propylcyclohexyl)benzoic acid
InChI:
InChI=1S/C16H22O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h8-13H,2-7H2,1H3,(H,17,18)
InChI Key:
VACLULPMEXHBMD-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)C(=O)O
EC Number:
613-780-8
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.162g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.35g/mol
Monoisotopic Mass:
246.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
Literature
| Title | Journal |
|---|---|
| [DSC and temperature-dependent infrared spectroscopic study of hydrogen-bonded liquid crystal complexes]. | Guang pu xue yu guang pu fen xi = Guang pu 20080701 |
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