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117307-29-6 | Cyclohexanol, 2-[(dimethylamino)methyl]-, 1-benzoate, (1S,2S)-
CAS No: 117307-29-6 Catalog No: AG000E3V MDL No:
Product Description
Catalog Number:
AG000E3V
Chemical Name:
Cyclohexanol, 2-[(dimethylamino)methyl]-, 1-benzoate, (1S,2S)-
CAS Number:
117307-29-6
Molecular Formula:
C16H23NO2
Molecular Weight:
261.3593
IUPAC Name:
[2-[(dimethylamino)methyl]cyclohexyl] benzoate
InChI:
InChI=1S/C16H23NO2/c1-17(2)12-14-10-6-7-11-15(14)19-16(18)13-8-4-3-5-9-13/h3-5,8-9,14-15H,6-7,10-12H2,1-2H3
InChI Key:
OYIQBJVQPZHJHK-UHFFFAOYSA-N
SMILES:
CN(C[C@@H]1CCCC[C@@H]1OC(=O)c1ccccc1)C
NSC Number:
241080
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.365g/mol
Monoisotopic Mass:
261.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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