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139-62-8 | Benzoic acid,4-(cyclohexyloxy)-, 3-(2-methyl-1-piperidinyl)propyl ester
CAS No: 139-62-8 Catalog No: AG0039FT MDL No:
Product Description
Catalog Number:
AG0039FT
Chemical Name:
Benzoic acid,4-(cyclohexyloxy)-, 3-(2-methyl-1-piperidinyl)propyl ester
CAS Number:
139-62-8
Molecular Formula:
C22H33NO3
Molecular Weight:
359.5023
IUPAC Name:
3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate
InChI:
InChI=1S/C22H33NO3/c1-18-8-5-6-15-23(18)16-7-17-25-22(24)19-11-13-21(14-12-19)26-20-9-3-2-4-10-20/h11-14,18,20H,2-10,15-17H2,1H3
InChI Key:
YLRNESBGEGGQBK-UHFFFAOYSA-N
SMILES:
CC1CCCCN1CCCOC(=O)c1ccc(cc1)OC1CCCCC1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.246g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.51g/mol
Monoisotopic Mass:
359.246g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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