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Home > Imidazoles > 908334-00-9

908334-00-9

908334-00-9 | 1,3,4,5,6,7,8,9-OCTAHYDRO-CYCLOOCTAIMIDAZOL-2-ONE

CAS No: 908334-00-9 Catalog No: AG006A58 MDL No:

Product Description

Catalog Number:
AG006A58
Chemical Name:
1,3,4,5,6,7,8,9-OCTAHYDRO-CYCLOOCTAIMIDAZOL-2-ONE
CAS Number:
908334-00-9
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
IUPAC Name:
1,3,4,5,6,7,8,9-octahydrocycloocta[d]imidazol-2-one
InChI:
InChI=1S/C9H14N2O/c12-9-10-7-5-3-1-2-4-6-8(7)11-9/h1-6H2,(H2,10,11,12)
InChI Key:
AFIVNQSXCWSYSH-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c([nH]1)CCCCCC2

Properties

Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.111g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
166.224g/mol
Monoisotopic Mass:
166.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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