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873071-69-3 | Phenol, 3-[(1R,2R)-2-[2-(dimethylamino)ethyl]cyclohexyl]-
CAS No: 873071-69-3 Catalog No: AG004OQH MDL No:
Product Description
Catalog Number:
AG004OQH
Chemical Name:
Phenol, 3-[(1R,2R)-2-[2-(dimethylamino)ethyl]cyclohexyl]-
CAS Number:
873071-69-3
Molecular Formula:
C16H25NO
Molecular Weight:
247.3758
IUPAC Name:
3-[(1R,2R)-2-[2-(dimethylamino)ethyl]cyclohexyl]phenol
InChI:
InChI=1S/C16H25NO/c1-17(2)11-10-13-6-3-4-9-16(13)14-7-5-8-15(18)12-14/h5,7-8,12-13,16,18H,3-4,6,9-11H2,1-2H3/t13-,16-/m1/s1
InChI Key:
ZBUBDEGRONRHDZ-CZUORRHYSA-N
SMILES:
CN(CC[C@H]1CCCC[C@H]1c1cccc(c1)O)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
247.194g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.382g/mol
Monoisotopic Mass:
247.194g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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