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2138255-51-1

2138255-51-1 | 3',5',6',7'-tetrahydrospiro[cyclobutane-1,4'-imidazo[4,5-c]pyridine]-7'-ol

CAS No: 2138255-51-1 Catalog No: AG01EMQY MDL No:MFCD31559328

Product Description

Catalog Number:
AG01EMQY
Chemical Name:
3',5',6',7'-tetrahydrospiro[cyclobutane-1,4'-imidazo[4,5-c]pyridine]-7'-ol
CAS Number:
2138255-51-1
Molecular Formula:
C9H13N3O
Molecular Weight:
179.2190
MDL Number:
MFCD31559328
IUPAC Name:
spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,1'-cyclobutane]-7-ol
InChI:
InChI=1S/C9H13N3O/c13-6-4-12-9(2-1-3-9)8-7(6)10-5-11-8/h5-6,12-13H,1-4H2,(H,10,11)
InChI Key:
KWTPJJFQQKJZFZ-UHFFFAOYSA-N
SMILES:
OC1CNC2(c3c1nc[nH]3)CCC2

Properties

Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.106g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
179.223g/mol
Monoisotopic Mass:
179.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  

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