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138650-03-0 | Spiro[cyclohexane-1,2'-[2H]imidazo[4,5-b]pyridine], 5'-ethoxy-
CAS No: 138650-03-0 Catalog No: AG0018YI MDL No:
Product Description
Catalog Number:
AG0018YI
Chemical Name:
Spiro[cyclohexane-1,2'-[2H]imidazo[4,5-b]pyridine], 5'-ethoxy-
CAS Number:
138650-03-0
Molecular Formula:
C13H17N3O
Molecular Weight:
231.2936
IUPAC Name:
5'-ethoxyspiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]
InChI:
InChI=1S/C13H17N3O/c1-2-17-11-7-6-10-12(14-11)16-13(15-10)8-4-3-5-9-13/h6-7H,2-5,8-9H2,1H3
InChI Key:
MQLORSSQYIIGJT-UHFFFAOYSA-N
SMILES:
CCOc1ccc2=NC3(N=c2n1)CCCCC3
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.299g/mol
Monoisotopic Mass:
231.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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