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73972-56-2 | 1-ethyl-1,2,3,4-tetrahydroquinolin-7-ol
CAS No: 73972-56-2 Catalog No: AG005IUQ MDL No:MFCD20484430
Product Description
Catalog Number:
AG005IUQ
Chemical Name:
1-ethyl-1,2,3,4-tetrahydroquinolin-7-ol
CAS Number:
73972-56-2
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD20484430
IUPAC Name:
6-(2,2,2-trifluoroethoxy)-7H-purine
InChI:
InChI=1S/C7H5F3N4O/c8-7(9,10)1-15-6-4-5(12-2-11-4)13-3-14-6/h2-3H,1H2,(H,11,12,13,14)
InChI Key:
DIWYLTCCAAMWNB-UHFFFAOYSA-N
SMILES:
CCN1CCCc2c1cc(O)cc2
NSC Number:
29411
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.139g/mol
Monoisotopic Mass:
218.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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